data_5jwj_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 5jwj _Structure_validation_residue.Date_analyzed 2017-05-19 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 full ' A' A ' 1' ' ' MET . . . . . 0.431 ' H1 ' ' H ' ' A' ' 2' ' ' SER . 5.0 mmt . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.408 -0.589 . . . . 0.0 109.408 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.431 ' H ' ' H1 ' ' A' ' 1' ' ' MET . 66.6 m -126.38 148.2 49.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.616 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 56.76 22.56 7.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.591 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.602 ' N ' ' CD ' ' A' ' 5' ' ' PRO . 2.1 t -65.75 -37.97 21.71 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.823 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.602 ' CD ' ' N ' ' A' ' 4' ' ' VAL . 33.8 Cg_exo -60.58 151.41 75.86 Favored 'Trans proline' 0 N--CA 1.498 1.745 0 C-N-CA 122.519 2.146 . . . . 0.0 112.211 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.469 ' O ' ' C ' ' A' ' 7' ' ' VAL . 77.3 m80 -53.38 141.71 23.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.172 -179.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.469 ' C ' ' O ' ' A' ' 6' ' ' HIS . 8.0 p -22.07 88.93 0.04 OUTLIER Pre-proline 0 N--CA 1.469 0.486 0 O-C-N 124.067 0.854 . . . . 0.0 112.034 -179.337 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.417 ' N ' ' O ' ' A' ' 6' ' ' HIS . 88.3 Cg_endo -80.0 161.24 23.84 Favored 'Trans proline' 0 N--CA 1.491 1.377 0 C-N-CA 122.435 2.09 . . . . 0.0 112.417 -179.554 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -59.48 134.61 57.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.187 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.467 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 31.5 m -118.72 104.12 47.57 Favored Pre-proline 0 CA--C 1.538 0.491 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.2 -179.632 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -55.14 147.94 51.7 Favored 'Trans proline' 0 N--CA 1.497 1.734 0 C-N-CA 121.775 1.65 . . . . 0.0 111.51 178.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.3 p -66.47 157.94 80.44 Favored Pre-proline 0 CA--C 1.533 0.319 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.075 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -57.42 148.26 72.96 Favored 'Trans proline' 0 N--CA 1.497 1.701 0 C-N-CA 121.739 1.626 . . . . 0.0 112.209 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.24 -20.35 58.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.703 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -59.8 -38.79 82.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.892 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 65.3 t -61.2 -46.46 96.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.06 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 53.2 t -63.68 -39.31 84.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.091 179.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.9 mmm180 -59.22 -41.78 89.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.265 -178.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.8 mmt180 -65.89 -37.62 86.6 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.24 179.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 65.5 mtt -61.66 -34.75 76.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.119 -179.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.7 mp -75.03 -41.18 59.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.934 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -61.59 -45.38 94.36 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.914 0.339 . . . . 0.0 111.914 -179.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.3 pt -67.98 -35.83 73.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.946 -179.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.37 -10.39 58.9 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt 61.18 35.22 18.55 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.273 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.1 p -62.02 119.35 5.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.056 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 89.8 p -110.8 166.8 10.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.701 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -59.08 -20.49 53.91 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.771 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -95.59 -1.24 50.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.039 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -106.18 140.23 39.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.855 0.36 . . . . 0.0 110.81 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.3 pp -90.96 157.95 2.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.279 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 93.2 t -123.51 119.54 57.62 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 CA-C-O 121.068 0.461 . . . . 0.0 111.435 179.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.534 ' CZ ' ' OE2' ' A' ' 95' ' ' GLU . 2.0 m-30 -115.17 107.56 15.46 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 178.37 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -124.55 142.64 51.19 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.875 -179.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -109.31 2.98 21.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.679 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -102.42 13.83 56.78 Favored Glycine 0 CA--C 1.527 0.819 0 C-N-CA 121.158 -0.544 . . . . 0.0 111.845 -179.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.1 p -42.71 -83.96 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.534 -0.466 . . . . 0.0 110.663 -179.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.527 ' O ' ' NH1' ' A' ' 64' ' ' ARG . . . 76.26 9.63 85.65 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.547 ' CG ' HH21 ' A' ' 41' ' ' ARG . 1.0 OUTLIER 168.26 -13.67 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.699 0.285 . . . . 0.0 110.721 179.878 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 91.55 -4.85 80.04 Favored Glycine 0 C--O 1.222 -0.651 0 N-CA-C 111.558 -0.617 . . . . 0.0 111.558 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.547 HH21 ' CG ' ' A' ' 39' ' ' ASP . 32.7 ptt-85 -59.88 -21.71 61.38 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.01 -0.676 . . . . 0.0 110.207 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.465 ' CG2' ' N ' ' A' ' 43' ' ' ILE . 0.3 OUTLIER -74.86 -44.8 44.95 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.211 -179.609 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.465 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 35.4 pt -90.05 -29.64 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 N-CA-C 112.133 0.419 . . . . 0.0 112.133 -179.143 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 75.9 mt -62.27 -41.6 92.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 79.7 m -66.5 -22.6 66.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.096 0.474 . . . . 0.0 110.544 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.555 ' O ' ' N ' ' A' ' 50' ' ' PHE . . . -76.57 -64.89 1.01 Allowed 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.728 179.317 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.59 -38.35 80.97 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.287 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -63.46 -46.22 87.24 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.336 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -106.17 -53.21 2.67 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -178.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.555 ' N ' ' O ' ' A' ' 46' ' ' ALA . 44.4 m-85 -71.75 -6.86 44.42 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -178.493 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 58.9 t30 49.73 34.23 7.17 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.629 -0.429 . . . . 0.0 111.284 178.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 14.1 m -43.42 162.55 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 CA-C-O 121.296 0.569 . . . . 0.0 110.913 -179.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -71.95 -50.61 27.51 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.129 178.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.447 ' HZ1' ' CG2' ' A' ' 56' ' ' VAL . 12.7 ttpp -148.73 128.49 13.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.356 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 80' ' ' ARG . . . -119.34 128.22 53.9 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.015 0.435 . . . . 0.0 110.369 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.447 ' CG2' ' HZ1' ' A' ' 54' ' ' LYS . 80.5 t -133.85 134.99 55.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.313 -179.492 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -109.44 131.06 10.3 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 109.799 -1.32 . . . . 0.0 109.799 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 86.0 t -104.37 122.46 57.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.438 ' OE2' ' OD1' ' A' ' 61' ' ' ASN . 86.1 tt0 -177.0 152.47 0.91 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.675 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.505 ' O ' ' ND2' ' A' ' 61' ' ' ASN . 19.2 tt -135.04 118.6 24.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 178.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.505 ' ND2' ' O ' ' A' ' 60' ' ' ILE . 26.9 m120 -150.12 -174.16 4.65 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.578 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -113.53 -67.12 1.02 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.775 179.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -70.86 -38.82 73.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.577 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.527 ' NH1' ' O ' ' A' ' 38' ' ' GLY . 77.4 mtp85 -80.83 -8.2 59.64 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.616 -178.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 3.8 tp -68.14 -35.4 71.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.927 -179.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -81.56 -27.01 34.55 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.184 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -61.31 -48.39 81.58 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.524 -0.47 . . . . 0.0 111.122 -179.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.23 -39.67 91.17 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 78.9 mt -61.81 -41.63 98.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.237 0.541 . . . . 0.0 109.775 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.28 -39.26 92.33 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.7 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.76 -23.91 66.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 112.031 -178.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 71.1 mt -70.26 -46.57 71.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 C-N-CA 120.419 -0.513 . . . . 0.0 110.545 178.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.62 -38.53 89.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.625 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -56.32 -41.37 75.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.363 -178.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 65.5 m-80 -94.19 4.04 54.44 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.196 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 49.39 43.79 35.33 Favored Glycine 0 CA--C 1.526 0.729 0 C-N-CA 121.046 -0.597 . . . . 0.0 111.75 178.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 5.5 m -108.5 15.58 7.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.713 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.3 p -44.76 160.78 0.03 OUTLIER 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 121.252 0.549 . . . . 0.0 111.135 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 79.24 -30.96 2.1 Favored Glycine 0 N--CA 1.45 -0.406 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.633 178.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.417 ' O ' ' N ' ' A' ' 55' ' ' ALA . 32.3 mtp85 -103.63 -22.69 13.55 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.32 -179.57 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -122.26 132.82 54.61 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.67 -179.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.3 t -148.29 164.65 33.39 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.378 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.521 ' N ' ' CD1' ' A' ' 83' ' ' ILE . 0.0 OUTLIER -124.94 134.86 65.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.474 . . . . 0.0 109.798 178.663 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 88.4 t -118.36 124.35 72.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.219 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -98.38 153.26 18.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.493 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 134.79 -164.13 24.71 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -99.42 129.08 45.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.819 0.342 . . . . 0.0 110.566 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -46.9 -30.94 2.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.312 -179.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -62.95 -47.09 84.72 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.218 0.532 . . . . 0.0 110.438 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -61.59 -42.12 98.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.811 -178.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 2.5 m -86.51 165.84 2.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.387 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' A' ' 92' ' ' ASP . 55.5 p-10 -126.91 143.76 51.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 42.9 pt -119.16 11.32 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.012 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 118' ' ' GLU . 91.8 p -60.37 -27.56 67.5 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.615 -179.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.534 ' OE2' ' CZ ' ' A' ' 33' ' ' TYR . 2.6 pp20? -73.13 -20.44 60.93 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.007 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -70.62 137.9 50.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.47 . . . . 0.0 112.078 -178.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 14.3 t -99.31 -27.99 13.52 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 178.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 93.7 t -130.28 129.14 64.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.685 -0.688 . . . . 0.0 109.731 179.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 28.0 m -136.97 153.56 29.91 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-O 120.934 0.397 . . . . 0.0 110.857 178.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 71.7 p -135.0 158.45 44.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.886 179.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 99.4 mtp -131.6 134.25 45.84 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.935 0.398 . . . . 0.0 111.02 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -153.85 91.44 1.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.894 179.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 88.3 mt -122.75 146.53 47.43 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.684 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 91.4 mt -91.08 -3.43 57.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.947 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 92.5 m -69.08 120.96 15.74 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.281 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -64.48 -41.58 96.39 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.626 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 86.9 t -129.52 125.71 62.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.892 0.377 . . . . 0.0 111.41 -179.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 52.3 p30 -161.17 173.45 15.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.082 179.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 49.4 mp0 -77.01 135.02 38.65 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 65.8 mtt -90.8 -46.92 7.93 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.736 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 67.8 mt 61.35 45.28 8.79 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.076 0.465 . . . . 0.0 110.136 -179.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.429 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 0.1 OUTLIER -58.65 -53.64 64.25 Favored Pre-proline 0 CA--C 1.536 0.417 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.0 -179.816 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.429 ' HD2' ' N ' ' A' ' 112' ' ' LYS . 32.5 Cg_endo -63.23 -21.92 72.3 Favored 'Trans proline' 0 N--CA 1.497 1.696 0 C-N-CA 121.65 1.566 . . . . 0.0 112.846 -179.127 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -64.31 -38.56 91.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.275 0.56 . . . . 0.0 109.699 178.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 97.5 mt -60.06 -35.4 75.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.528 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -62.95 -22.77 67.03 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.601 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -97.42 -39.01 9.39 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.577 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.459 ' O ' ' CB ' ' A' ' 94' ' ' SER . 80.6 mm-40 -74.83 -52.01 12.51 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.311 -179.573 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 88.7 mt -87.0 133.85 33.54 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.837 -178.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 34.2 mmtm -72.05 152.36 92.76 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.364 179.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -58.36 142.04 97.39 Favored 'Trans proline' 0 C--N 1.31 -1.484 0 C-N-CA 121.546 1.497 . . . . 0.0 111.62 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 98.25 -5.04 60.75 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.53 -1.028 . . . . 0.0 110.53 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 5.9 m -70.81 147.57 48.78 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 178.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -102.11 127.5 49.0 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 -179.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 57.7 t -123.58 129.76 74.43 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 N-CA-C 110.172 -0.306 . . . . 0.0 110.172 178.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 57.5 t -121.43 124.91 72.88 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.44 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 70.7 m -101.45 154.74 18.56 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-O 120.871 0.367 . . . . 0.0 110.557 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . 0.525 ' N ' ' CD2' ' A' ' 128' ' ' HIS . 0.1 OUTLIER -59.1 -102.45 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.591 -178.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.439 ' H ' ' CG ' ' A' ' 128' ' ' HIS . 23.8 pt-20 -112.89 -19.3 12.01 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.325 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.5 ' H ' ' CD2' ' A' ' 128' ' ' HIS . 9.4 t80 -87.38 120.65 28.89 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.724 -178.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -71.92 161.35 31.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.506 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.436 ' CD1' ' CE1' ' A' ' 155' ' ' TYR . 78.1 mt -93.23 118.89 40.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.023 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 -73.76 140.07 45.66 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 89.87 -22.88 23.03 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.317 -0.713 . . . . 0.0 111.317 179.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 12.7 m0 -106.09 150.94 25.31 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.888 0.375 . . . . 0.0 110.827 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -105.85 117.06 58.68 Favored Pre-proline 0 CA--C 1.537 0.465 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.913 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -71.58 151.72 58.84 Favored 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 121.495 1.463 . . . . 0.0 112.293 -179.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 18.2 tptp -82.89 -47.92 11.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.222 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -134.61 128.95 34.16 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.679 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 66.2 t -129.21 123.52 58.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.37 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 27.3 pt -142.01 164.36 18.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.094 0.473 . . . . 0.0 111.347 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 37.9 mtpt -122.53 153.98 38.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.694 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 57.4 t -128.89 129.83 68.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.099 -0.955 . . . . 0.0 108.998 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . 0.401 ' OE1' ' N ' ' A' ' 144' ' ' GLU . 47.4 mp0 -115.61 129.28 56.45 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.877 0.37 . . . . 0.0 110.484 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -136.56 103.26 5.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.317 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 84.35 -103.02 2.58 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -127.75 16.17 6.93 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 65.4 mtt -117.2 176.84 4.96 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.346 -178.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 30.2 p30 -154.9 149.96 26.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.881 178.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -136.92 144.29 43.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.035 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.414 ' O ' ' O ' ' A' ' 128' ' ' HIS . 32.3 m -123.25 140.09 53.37 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 99.2 t -128.24 132.14 68.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.807 0.337 . . . . 0.0 110.714 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -109.7 132.21 54.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.959 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 68.4 tp -111.37 133.29 53.79 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . 0.436 ' CE1' ' CD1' ' A' ' 132' ' ' ILE . 85.3 m-85 -128.74 161.04 30.66 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 179.527 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 63.9 t -131.04 126.53 59.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.607 178.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' ILE . . . . . . . . . . . . . 37.0 mm -71.91 136.58 25.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.631 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 127.83 -35.7 2.7 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.311 -1.115 . . . . 0.0 110.311 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -140.34 132.18 27.52 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . 0.558 ' ND1' ' N ' ' A' ' 161' ' ' LYS . 32.1 p80 -126.31 -141.35 0.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.249 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . 0.558 ' N ' ' ND1' ' A' ' 160' ' ' HIS . 10.0 mmmt 18.89 -86.69 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.481 0 O-C-N 123.828 0.705 . . . . 0.0 112.43 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 160' ' ' HIS . . . . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.562 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.0 ttt . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.5 t -151.2 -164.8 2.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.494 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -96.22 1.52 52.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.385 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 4.4 t 48.27 58.44 17.65 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.771 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -70.75 154.13 63.98 Favored 'Trans proline' 0 C--N 1.307 -1.615 0 C-N-CA 122.654 2.236 . . . . 0.0 111.857 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -66.76 136.02 54.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.029 0.443 . . . . 0.0 110.775 -179.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.2 m -74.4 150.18 87.01 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.689 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -70.73 160.59 48.93 Favored 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 122.205 1.937 . . . . 0.0 111.681 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -54.92 129.49 37.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.896 0.379 . . . . 0.0 110.587 -179.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.471 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 31.2 m -113.72 103.71 55.29 Favored Pre-proline 0 CA--C 1.54 0.56 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.538 -179.207 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.465 ' O ' ' O ' ' A' ' 10' ' ' VAL . 31.5 Cg_exo -55.66 -142.26 0.0 OUTLIER 'Trans proline' 0 N--CA 1.498 1.75 0 C-N-CA 122.306 2.004 . . . . 0.0 112.083 178.379 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.0 p -94.74 112.24 57.27 Favored Pre-proline 0 CA--C 1.535 0.374 0 C-N-CA 120.702 -0.399 . . . . 0.0 109.987 179.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.12 160.94 39.17 Favored 'Trans proline' 0 N--CA 1.49 1.307 0 C-N-CA 121.659 1.573 . . . . 0.0 112.269 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.448 ' CD ' ' HG1' ' A' ' 45' ' ' THR . 50.3 tp10 -57.99 -21.09 43.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.798 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -58.65 -36.78 74.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.369 -179.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 67.0 t -60.83 -46.29 96.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.027 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 54.5 t -64.19 -39.4 85.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.415 178.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -58.68 -42.37 88.37 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.221 -178.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -65.44 -37.34 86.6 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.249 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 64.0 mtt -62.36 -34.95 77.69 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.124 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.6 mp -75.25 -39.6 59.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.171 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -63.3 -44.79 93.99 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -179.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 39.2 pt -67.51 -35.61 73.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 -178.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.43 -8.74 53.2 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.417 -179.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt 63.48 42.01 6.99 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.993 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 92.4 t -70.7 117.75 14.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.409 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.405 ' H ' ' HB2' ' A' ' 30' ' ' ASP . 96.3 p -113.49 166.37 11.57 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.61 179.473 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -59.33 -19.27 45.13 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.914 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -96.48 -1.69 46.81 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.155 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.405 ' HB2' ' H ' ' A' ' 27' ' ' SER . 97.6 m-20 -106.08 140.08 39.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.8 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.2 pp -91.28 158.08 2.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.444 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 94.0 t -124.87 120.77 59.52 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.539 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.415 ' OH ' ' OE2' ' A' ' 95' ' ' GLU . 1.9 m-30 -113.2 107.12 15.47 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 177.629 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -121.52 138.81 54.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.791 0.329 . . . . 0.0 111.021 -179.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -106.65 2.5 25.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.076 0.465 . . . . 0.0 110.422 179.656 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.466 ' O ' ' O ' ' A' ' 37' ' ' CYS . . . -95.41 15.56 63.0 Favored Glycine 0 CA--C 1.526 0.741 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.502 -179.506 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.681 ' HG ' ' H ' ' A' ' 39' ' ' ASP . 14.8 t -45.38 -101.76 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.653 0.263 . . . . 0.0 111.046 -179.433 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.585 ' N ' ' SG ' ' A' ' 37' ' ' CYS . . . 76.63 5.7 83.56 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.584 -1.006 . . . . 0.0 110.584 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.681 ' H ' ' HG ' ' A' ' 37' ' ' CYS . 54.7 p30 -177.82 -22.06 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.772 0.32 . . . . 0.0 110.504 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.588 ' N ' ' SG ' ' A' ' 37' ' ' CYS . . . 90.12 -6.86 82.44 Favored Glycine 0 C--O 1.219 -0.806 0 N-CA-C 110.483 -1.047 . . . . 0.0 110.483 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.8 tpp85 -56.9 -31.07 64.51 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.988 0.423 . . . . 0.0 110.235 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.436 ' CG2' ' N ' ' A' ' 43' ' ' ILE . 17.8 tt -66.51 -44.06 90.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.473 -179.318 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.436 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 31.9 pt -89.19 -30.39 5.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.265 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.433 ' CD1' ' CG ' ' A' ' 71' ' ' ASN . 72.2 mt -61.88 -42.24 93.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.448 ' HG1' ' CD ' ' A' ' 14' ' ' GLU . 75.0 m -64.92 -24.16 67.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.225 0.536 . . . . 0.0 110.15 179.553 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.582 ' O ' ' N ' ' A' ' 50' ' ' PHE . . . -74.82 -65.44 0.87 Allowed 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.605 179.124 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.12 -38.63 80.07 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.779 -0.369 . . . . 0.0 111.486 -179.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -62.72 -46.34 88.56 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.644 -0.422 . . . . 0.0 111.475 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -106.38 -51.33 2.98 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 -178.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.582 ' N ' ' O ' ' A' ' 46' ' ' ALA . 37.2 m-85 -73.17 -6.9 48.86 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.289 0.478 . . . . 0.0 112.289 -178.58 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 58.3 t30 50.55 34.08 8.97 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.61 179.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.2 m -54.07 129.24 14.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.333 0.587 . . . . 0.0 111.382 -178.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -47.07 -47.36 22.85 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.317 -178.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.1 ttpt -143.74 125.59 15.2 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.355 -0.538 . . . . 0.0 110.375 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 80' ' ' ARG . . . -121.7 127.66 50.98 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 78.8 t -133.66 134.93 56.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.329 -179.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -107.2 127.61 8.88 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 109.818 -1.313 . . . . 0.0 109.818 178.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 84.4 t -98.92 119.9 47.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.538 ' OE2' ' ND2' ' A' ' 61' ' ' ASN . 87.4 tt0 -172.38 147.98 2.01 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.922 -179.418 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.464 ' CG2' ' O ' ' A' ' 60' ' ' ILE . 19.0 tt -132.27 112.03 18.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 178.514 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.538 ' ND2' ' OE2' ' A' ' 59' ' ' GLU . 97.3 m-20 -148.5 171.23 16.42 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -99.72 -67.44 0.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.621 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -69.58 -39.44 77.32 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.038 0.385 . . . . 0.0 112.038 -179.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -75.11 -7.77 54.7 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.574 -178.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.44 ' CG2' ' N ' ' A' ' 66' ' ' ARG . 16.1 tt -62.68 -37.98 80.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 120.342 -0.543 . . . . 0.0 111.298 -179.084 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.44 ' N ' ' CG2' ' A' ' 65' ' ' ILE . 9.2 ptm180 -80.38 -28.94 37.83 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.636 -178.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -61.24 -49.64 76.28 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.46 -0.496 . . . . 0.0 111.38 -178.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.67 -41.22 97.25 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.281 0.475 . . . . 0.0 112.281 -178.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.6 mt -62.79 -41.63 99.35 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.204 0.525 . . . . 0.0 110.473 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.8 -40.03 95.66 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.789 -178.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.434 ' OD1' ' OD1' ' A' ' 75' ' ' ASN . 54.6 t-20 -60.42 -43.63 96.55 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.499 -178.735 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 76.2 mt -56.63 -46.83 82.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.952 -0.299 . . . . 0.0 111.252 -178.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -63.04 -40.42 97.67 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.029 -0.668 . . . . 0.0 109.657 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.65 -39.16 73.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.385 -179.277 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.434 ' OD1' ' OD1' ' A' ' 71' ' ' ASN . 31.6 m120 -94.09 3.33 55.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.39 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 48.88 43.35 30.54 Favored Glycine 0 CA--C 1.524 0.634 0 C-N-CA 121.051 -0.595 . . . . 0.0 111.895 178.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 4.4 m -110.34 16.54 7.83 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 116.767 0.284 . . . . 0.0 111.502 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.3 p -46.2 162.96 0.03 OUTLIER 'General case' 0 CA--C 1.517 -0.302 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.783 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 78.17 -36.23 1.73 Allowed Glycine 0 CA--C 1.522 0.509 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.351 178.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 55' ' ' ALA . 68.0 mtt180 -97.85 -24.54 15.38 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 120.529 -0.468 . . . . 0.0 109.989 -179.601 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -121.08 131.86 54.52 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.229 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 46.7 t -147.95 164.94 32.19 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.149 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.45 ' N ' ' CD1' ' A' ' 83' ' ' ILE . 0.0 OUTLIER -124.91 133.4 69.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 178.887 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 94.3 t -121.96 128.88 75.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.409 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 29.3 mtmm -98.33 151.63 20.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.924 -179.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 147.38 -165.38 28.67 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -104.36 140.39 37.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.182 0.515 . . . . 0.0 110.883 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -55.41 -43.14 74.99 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.795 -179.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -65.19 -41.51 94.48 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.531 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -69.43 -41.45 76.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.779 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 2.3 p -81.01 146.84 6.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 121.06 0.457 . . . . 0.0 111.419 -178.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -111.89 130.61 55.77 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.666 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 42.8 pt -110.22 21.02 5.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.639 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 46.9 t -57.19 -35.88 70.15 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.805 -178.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.415 ' OE2' ' OH ' ' A' ' 33' ' ' TYR . 10.2 pt-20 -67.62 -20.46 65.35 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.599 -179.439 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.12 134.16 48.97 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.551 0.575 . . . . 0.0 112.551 -178.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 8.8 t -99.0 -25.9 14.42 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.451 ' CG2' ' CZ ' ' A' ' 124' ' ' ARG . 98.7 t -131.39 131.04 63.22 Favored 'Isoleucine or valine' 0 C--O 1.231 0.118 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.192 179.276 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 71.3 t -133.46 142.01 42.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.693 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 67.1 p -131.89 156.53 45.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.666 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 97.6 mmm -129.39 137.07 50.72 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.447 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -150.52 94.06 2.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.091 179.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.2 mp -124.17 127.19 47.39 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.345 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 92.4 mt -63.67 -39.75 95.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.509 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 12.4 t -154.56 179.58 8.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.829 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 63.7 t30 57.78 45.86 18.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.165 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 79.1 t -62.3 -40.85 89.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.533 ' O ' ' N ' ' A' ' 110' ' ' MET . 29.9 m120 58.93 54.03 5.32 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.559 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -58.01 79.4 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.8 0.334 . . . . 0.0 110.237 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.533 ' N ' ' O ' ' A' ' 108' ' ' ASN . 67.9 mtt -103.96 24.72 10.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.994 -179.633 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.404 ' O ' ' O ' ' A' ' 110' ' ' MET . 1.0 OUTLIER 61.71 131.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.569 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -130.31 65.98 77.04 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.067 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.67 -16.41 33.72 Favored 'Trans proline' 0 N--CA 1.495 1.579 0 C-N-CA 122.481 2.121 . . . . 0.0 111.543 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -58.12 -23.88 56.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.541 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 95.9 mt -59.63 -27.86 66.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.618 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.53 ' OE2' ' CD2' ' A' ' 160' ' ' HIS . 79.5 mm-40 -68.83 -20.49 64.3 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.785 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -96.98 -37.55 10.14 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.399 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -78.04 -51.95 9.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.8 0.333 . . . . 0.0 111.261 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 85.2 mt -85.42 133.88 34.09 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.335 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -74.78 151.45 86.76 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.834 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -53.74 140.0 67.37 Favored 'Trans proline' 0 N--CA 1.495 1.565 0 C-N-CA 121.385 1.39 . . . . 0.0 111.925 179.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 100.74 -6.6 57.22 Favored Glycine 0 CA--C 1.519 0.313 0 N-CA-C 110.851 -0.899 . . . . 0.0 110.851 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 6.5 m -70.97 144.07 50.63 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 178.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.451 ' CZ ' ' CG2' ' A' ' 98' ' ' VAL . 0.9 OUTLIER -101.58 131.44 47.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.114 0.483 . . . . 0.0 110.495 -179.703 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 64.2 t -124.28 130.09 73.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.036 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 63.3 t -118.98 122.79 70.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.148 -179.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 71.0 m -97.75 154.22 17.74 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.906 0.384 . . . . 0.0 110.475 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . 0.6 ' H ' ' ND1' ' A' ' 128' ' ' HIS . 0.0 OUTLIER -62.78 -101.47 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.952 -179.382 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -112.71 -19.11 12.16 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.687 0.28 . . . . 0.0 111.524 -179.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -88.39 122.54 32.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.115 0.483 . . . . 0.0 110.941 -179.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -74.33 141.62 45.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.35 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.593 ' H ' ' HH ' ' A' ' 155' ' ' TYR . 82.8 mt -75.75 114.82 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.331 -0.548 . . . . 0.0 109.609 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -71.47 140.42 49.99 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.835 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 91.73 -23.61 24.87 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.328 -0.709 . . . . 0.0 111.328 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 12.8 m0 -103.85 148.94 25.54 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.976 0.417 . . . . 0.0 111.374 -179.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . 0.439 HD21 ' C ' ' A' ' 136' ' ' ASN . 0.4 OUTLIER -100.95 115.06 65.76 Favored Pre-proline 0 CA--C 1.539 0.548 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.854 179.607 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.87 149.0 52.95 Favored 'Trans proline' 0 N--CA 1.493 1.488 0 C-N-CA 121.53 1.487 . . . . 0.0 112.273 -179.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -85.33 -50.88 6.97 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -133.75 142.83 48.11 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.223 178.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -153.08 132.19 3.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.583 179.329 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 22.4 pt -140.55 167.24 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.92 0.39 . . . . 0.0 111.094 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 19.1 mtmt -118.34 150.97 38.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.14 179.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 58.9 t -126.63 128.83 71.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.637 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -112.63 119.3 37.64 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -139.17 99.97 3.89 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.523 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 95.75 -117.41 5.65 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -119.19 17.23 13.18 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.791 0.329 . . . . 0.0 110.408 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 97.8 mmm -140.23 158.47 43.98 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.267 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 55.6 p30 -128.42 164.53 22.51 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.309 0.576 . . . . 0.0 111.038 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -137.02 147.29 46.13 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.049 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 59.5 m -126.45 142.1 51.65 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 7.9 p -133.88 142.68 40.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.775 0.321 . . . . 0.0 110.647 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -117.31 134.31 54.96 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.262 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 63.5 tp -113.65 119.62 38.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.685 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . 0.593 ' HH ' ' H ' ' A' ' 132' ' ' ILE . 93.6 m-85 -112.61 170.17 8.38 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.109 0.481 . . . . 0.0 109.841 179.401 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 3.6 p -138.98 128.8 31.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.139 178.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' ILE . . . . . . . . . . . . . 39.5 mm -70.52 132.14 33.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.149 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 122.42 -44.0 1.39 Allowed Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -127.99 100.85 6.06 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.852 0.358 . . . . 0.0 110.497 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . 0.53 ' CD2' ' OE2' ' A' ' 116' ' ' GLU . 29.1 p80 -161.46 156.67 23.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.743 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.81 148.19 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 -179.436 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.63 -179.521 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.8 mtt . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.9 p -155.13 164.0 39.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.543 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -122.22 142.62 50.25 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.498 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.443 ' CG2' ' O ' ' A' ' 4' ' ' VAL . 33.1 m -130.77 76.15 77.65 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.843 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -55.79 141.3 85.06 Favored 'Trans proline' 0 C--N 1.306 -1.668 0 C-N-CA 122.716 2.277 . . . . 0.0 112.005 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 63.2 t-80 -150.46 62.43 0.95 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.3 t -145.14 58.57 5.27 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.53 179.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -73.58 145.48 37.48 Favored 'Trans proline' 0 C--N 1.302 -1.869 0 C-N-CA 122.819 2.346 . . . . 0.0 112.158 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -135.69 117.81 15.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.292 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.484 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 31.8 m -127.74 102.23 22.78 Favored Pre-proline 0 CA--C 1.536 0.427 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.764 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -79.45 142.81 16.76 Favored 'Trans proline' 0 N--CA 1.489 1.241 0 C-N-CA 121.621 1.547 . . . . 0.0 111.637 179.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 80.1 p -72.74 154.89 91.18 Favored Pre-proline 0 C--N 1.329 -0.311 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.629 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.452 ' CB ' ' NZ ' ' A' ' 15' ' ' LYS . 76.6 Cg_exo -52.4 145.09 37.76 Favored 'Trans proline' 0 N--CA 1.492 1.404 0 C-N-CA 121.554 1.502 . . . . 0.0 111.122 177.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -59.55 -37.65 78.97 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.624 -178.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.62 ' HZ3' ' CB ' ' A' ' 145' ' ' ASP . 4.7 ptpp? -53.68 -19.2 3.76 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.707 -178.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 77.3 t -63.3 -44.62 99.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 120.659 -0.417 . . . . 0.0 110.915 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.9 p -68.2 -28.57 41.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.842 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.463 HH22 ' CG ' ' A' ' 49' ' ' ASP . 12.4 mmt180 -61.02 -43.13 99.34 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.776 -179.467 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.2 mmt180 -67.75 -37.56 82.31 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.911 179.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 95.5 mtp -61.89 -35.32 78.0 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.009 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.6 mp -76.58 -40.91 48.2 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.078 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -62.87 -44.94 94.77 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 111.933 0.345 . . . . 0.0 111.933 -179.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.5 pt -64.66 -36.5 77.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 C-N-CA 120.606 -0.438 . . . . 0.0 110.386 -179.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.49 -6.9 43.96 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.938 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm 62.35 40.41 11.24 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.386 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 78.4 t -66.47 118.85 10.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.556 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 70.1 m -113.75 164.05 14.22 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.536 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.2 pt20 -58.47 -18.7 30.88 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.918 -179.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -97.79 -0.29 45.53 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.874 -0.33 . . . . 0.0 111.345 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -104.75 135.95 45.18 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.741 0.305 . . . . 0.0 111.269 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.427 ' CD1' ' C ' ' A' ' 31' ' ' ILE . 1.0 OUTLIER -86.58 153.72 3.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.112 179.586 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 89.7 t -124.55 117.49 50.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.447 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.42 ' OH ' ' OE2' ' A' ' 95' ' ' GLU . 10.9 m-30 -114.51 113.9 25.06 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 176.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -120.8 136.78 54.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 77.1 mt -96.33 -5.25 40.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.442 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -111.17 53.02 0.6 Allowed Glycine 0 CA--C 1.527 0.8 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.407 -178.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.513 ' SG ' ' O ' ' A' ' 58' ' ' VAL . 0.5 OUTLIER -71.26 -86.55 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.571 -0.452 . . . . 0.0 109.902 179.148 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.8 6.22 89.15 Favored Glycine 0 CA--C 1.524 0.633 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.527 179.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.445 ' CB ' ' NH2' ' A' ' 41' ' ' ARG . 1.1 p30 171.1 -15.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.534 0.207 . . . . 0.0 111.01 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 91.15 -3.09 79.95 Favored Glycine 0 C--O 1.219 -0.835 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.445 ' NH2' ' CB ' ' A' ' 39' ' ' ASP . 84.7 mtt85 -61.56 -24.31 66.56 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 122.316 -0.52 . . . . 0.0 110.594 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.439 ' CG2' ' N ' ' A' ' 43' ' ' ILE . 13.6 tt -71.67 -41.96 71.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.815 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.439 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 39.3 pt -92.01 -30.82 4.7 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -179.036 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.442 ' CD1' ' CG ' ' A' ' 71' ' ' ASN . 72.8 mt -62.0 -41.64 91.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.554 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 73.3 m -65.76 -21.98 66.55 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.08 0.467 . . . . 0.0 110.244 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.551 ' O ' ' N ' ' A' ' 50' ' ' PHE . . . -77.12 -65.22 0.98 Allowed 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.959 179.17 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.84 -38.42 82.01 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.442 -179.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -62.89 -48.04 80.72 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.496 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.463 ' CG ' HH22 ' A' ' 18' ' ' ARG . 12.3 t70 -105.68 -49.2 3.47 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -178.152 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.551 ' N ' ' O ' ' A' ' 46' ' ' ALA . 39.7 m-85 -75.46 -5.84 47.08 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.566 -0.453 . . . . 0.0 112.102 -178.354 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 59.0 t30 49.45 34.57 6.85 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.746 178.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.6 m -45.14 164.19 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.494 0 CA-C-O 121.278 0.561 . . . . 0.0 110.818 -179.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -73.54 -50.8 19.55 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.169 178.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.1 ttpt -147.45 128.74 14.8 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.37 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -120.79 125.77 48.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.235 0.54 . . . . 0.0 110.638 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.6 t -133.12 137.06 54.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.701 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -124.22 138.05 11.06 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 109.919 -1.272 . . . . 0.0 109.919 178.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.513 ' O ' ' SG ' ' A' ' 37' ' ' CYS . 63.0 t -93.43 115.53 32.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 119.785 -0.766 . . . . 0.0 109.809 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -136.76 122.64 20.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.387 -179.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.48 ' CG2' ' O ' ' A' ' 60' ' ' ILE . 18.5 tt -128.32 98.38 4.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.841 179.161 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -150.65 -174.42 4.76 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -110.78 -67.93 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.769 0.319 . . . . 0.0 111.225 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -70.71 -38.63 73.64 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.894 0.378 . . . . 0.0 111.703 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 85.5 mtp180 -80.71 -7.81 59.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.719 -178.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.406 ' CG2' ' N ' ' A' ' 66' ' ' ARG . 12.5 tt -65.02 -37.52 80.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 119.96 -0.696 . . . . 0.0 110.722 -179.119 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.406 ' N ' ' CG2' ' A' ' 65' ' ' ILE . 8.6 ptm180 -79.37 -27.65 41.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.013 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.53 -47.43 85.63 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.576 -0.45 . . . . 0.0 111.074 -179.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.19 -40.97 95.92 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -178.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 35.4 mt -61.91 -40.34 95.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.059 0.457 . . . . 0.0 110.521 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.69 -38.86 92.69 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.548 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.523 ' OD1' ' ND2' ' A' ' 75' ' ' ASN . 55.6 t-20 -59.89 -44.93 93.94 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.768 -0.373 . . . . 0.0 111.201 -178.509 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.8 mp -55.66 -46.66 79.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.974 -178.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -63.52 -40.34 96.77 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.196 -0.602 . . . . 0.0 110.042 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -56.7 -38.88 72.92 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.297 -179.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.523 ' ND2' ' OD1' ' A' ' 71' ' ' ASN . 66.1 m-80 -92.94 3.96 54.79 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.771 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 48.6 42.36 27.35 Favored Glycine 0 CA--C 1.526 0.745 0 C-N-CA 120.768 -0.729 . . . . 0.0 111.737 178.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 5.1 m -109.67 16.34 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 120.921 -0.311 . . . . 0.0 111.7 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.426 ' C ' ' H ' ' A' ' 80' ' ' ARG . 7.5 p -48.17 163.43 0.07 Allowed 'General case' 0 CA--C 1.514 -0.409 0 CA-C-O 121.419 0.628 . . . . 0.0 111.054 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 76.58 -31.31 1.44 Allowed Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 114.817 -1.083 . . . . 0.0 111.358 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.426 ' H ' ' C ' ' A' ' 78' ' ' THR . 64.6 mtt180 -103.44 -24.83 13.43 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-N 117.099 0.45 . . . . 0.0 110.233 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -122.08 133.71 54.77 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.587 -179.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.627 ' HG ' ' N ' ' A' ' 83' ' ' ILE . 47.1 t -146.97 164.28 33.46 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.271 -179.49 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.627 ' N ' ' HG ' ' A' ' 82' ' ' SER . 0.0 OUTLIER -127.04 137.31 58.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.884 178.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 95.4 t -125.96 129.98 72.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.725 -179.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -97.48 152.95 18.46 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 141.75 -160.76 27.06 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -105.06 132.25 51.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.111 0.481 . . . . 0.0 111.308 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -56.09 -40.3 73.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.321 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -63.75 -37.11 86.12 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.302 0.572 . . . . 0.0 109.519 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.5 tp10 -82.97 0.78 43.02 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.709 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 94.1 t -106.49 126.06 62.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 CA-C-O 121.08 0.467 . . . . 0.0 111.489 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -88.88 117.81 28.14 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.418 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 35.3 pt -117.47 17.96 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.171 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 89.9 p -59.17 -28.7 66.85 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.497 -178.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.42 ' OE2' ' OH ' ' A' ' 33' ' ' TYR . 24.4 pt-20 -74.05 -18.44 60.83 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.693 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.55 135.76 50.46 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.914 0.388 . . . . 0.0 111.822 -178.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 14.6 t -98.21 -26.55 14.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.269 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 93.4 t -130.75 128.17 62.66 Favored 'Isoleucine or valine' 0 C--O 1.232 0.146 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.366 179.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 80.0 t -132.92 140.65 46.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.266 0.555 . . . . 0.0 111.05 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 69.1 p -132.49 157.98 43.25 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.173 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 99.4 mtp -127.16 135.42 50.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.829 0.347 . . . . 0.0 110.851 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -149.31 91.4 1.83 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.116 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.1 pp -162.3 163.22 28.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.61 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -135.49 22.92 3.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.395 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 73.4 p -129.84 159.97 34.93 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.741 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.424 ' O ' ' C ' ' A' ' 107' ' ' VAL . 72.4 m-20 46.29 -146.49 0.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.432 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.424 ' C ' ' O ' ' A' ' 106' ' ' ASN . 3.9 t 32.08 44.16 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.302 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -62.47 -39.46 93.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.249 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.23 -39.67 93.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.021 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 65.7 mtt 58.6 27.75 16.16 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.805 -179.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 93.8 mt -130.63 132.35 45.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.686 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.595 ' HZ3' ' CD1' ' A' ' 115' ' ' LEU . 15.1 pttp -161.94 76.42 2.21 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.797 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_exo -56.63 -12.87 9.52 Favored 'Trans proline' 0 N--CA 1.497 1.722 0 C-N-CA 123.237 2.625 . . . . 0.0 112.021 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -58.27 -18.13 24.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.816 -178.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.595 ' CD1' ' HZ3' ' A' ' 112' ' ' LYS . 94.6 mt -60.24 -36.81 78.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.014 0.435 . . . . 0.0 109.923 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -64.14 -23.06 67.18 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.904 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.456 ' N ' ' CD ' ' A' ' 117' ' ' LYS . 2.7 mptp? -94.64 -40.77 9.65 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.039 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -78.14 -50.87 11.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.152 -178.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 6.0 mp -85.42 135.31 33.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.83 0.348 . . . . 0.0 110.293 -179.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -72.62 150.46 91.14 Favored Pre-proline 0 CA--C 1.535 0.378 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.537 -179.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.49 141.27 73.73 Favored 'Trans proline' 0 N--CA 1.498 1.744 0 C-N-CA 121.648 1.566 . . . . 0.0 112.064 179.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 98.49 -6.19 60.91 Favored Glycine 0 C--O 1.227 -0.321 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 3.4 m -71.32 149.34 46.19 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 178.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.534 ' N ' ' CD ' ' A' ' 124' ' ' ARG . 0.0 OUTLIER -105.86 129.29 54.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.563 -179.362 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 60.9 t -122.83 129.11 75.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.029 179.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 49.1 t -118.61 123.11 71.02 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.131 0 C-N-CA 121.082 -0.247 . . . . 0.0 110.839 -179.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 41.3 t -95.74 145.17 25.52 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.945 0.402 . . . . 0.0 110.526 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . 0.465 ' CG ' ' N ' ' A' ' 129' ' ' GLU . 22.0 t-160 -51.75 -105.02 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.542 -179.323 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.465 ' N ' ' CG ' ' A' ' 128' ' ' HIS . 88.2 tt0 -104.29 -36.01 7.77 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.399 -179.406 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -76.64 139.87 40.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.997 0.427 . . . . 0.0 111.199 -179.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.45 ' N ' ' OE1' ' A' ' 131' ' ' GLU . 20.5 pm0 -86.19 162.9 18.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.467 179.484 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 77.9 mt -93.45 117.94 38.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.285 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -73.12 139.81 46.68 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 179.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 90.55 -21.67 31.35 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.435 -0.666 . . . . 0.0 111.435 179.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 13.6 m0 -106.45 152.91 23.02 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.828 0.347 . . . . 0.0 110.914 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -107.6 120.28 47.89 Favored Pre-proline 0 CA--C 1.536 0.442 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.86 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -73.08 150.33 48.01 Favored 'Trans proline' 0 N--CA 1.493 1.466 0 C-N-CA 121.738 1.625 . . . . 0.0 112.389 -179.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -84.04 -46.95 11.46 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 179.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -134.53 133.2 40.04 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.444 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 65.4 t -130.11 124.2 57.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.242 179.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 24.4 pt -142.36 162.78 18.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.625 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . 0.412 ' CG ' ' OG1' ' A' ' 151' ' ' THR . 19.5 mtmt -121.47 153.25 38.16 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.949 -1.023 . . . . 0.0 111.558 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 63.1 t -126.4 130.3 71.88 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.288 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -113.24 122.69 48.23 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.229 -0.285 . . . . 0.0 110.229 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.62 ' CB ' ' HZ3' ' A' ' 15' ' ' LYS . 37.6 t70 -143.15 99.75 3.51 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.623 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 95.37 -120.34 6.48 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -114.36 14.6 17.99 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.682 0.277 . . . . 0.0 110.625 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 63.6 mtt -140.22 157.7 45.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.459 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 57.0 p30 -128.11 165.38 20.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.089 0.471 . . . . 0.0 110.649 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -136.87 146.95 46.18 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.389 -179.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.412 ' OG1' ' CG ' ' A' ' 142' ' ' LYS . 53.5 m -125.03 141.63 52.0 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 9.9 p -134.81 140.2 45.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.858 0.361 . . . . 0.0 110.075 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -111.77 136.49 50.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.233 -179.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 66.4 tp -114.31 130.56 56.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.367 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -126.81 163.61 23.2 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 2.4 p -134.49 127.56 50.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.663 178.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' ILE . . . . . . . . . . . . . 38.7 mm -70.96 136.7 25.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.47 -0.787 . . . . 0.0 110.871 -179.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 136.05 -33.54 2.37 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 109.468 -1.453 . . . . 0.0 109.468 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -149.45 100.5 3.01 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 178.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 22.5 p80 -69.8 -28.43 65.72 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -178.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 49.1 mtpt -101.48 -171.82 2.05 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.63 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.452 179.907 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.1 tpp . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.45 ' OG ' ' CD1' ' A' ' 3' ' ' TYR . 46.9 t -152.06 143.9 23.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.664 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.45 ' CD1' ' OG ' ' A' ' 2' ' ' SER . 94.8 m-85 54.65 41.52 31.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.627 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.45 ' CG2' ' O ' ' A' ' 4' ' ' VAL . 7.6 p -128.79 59.78 45.37 Favored Pre-proline 0 C--N 1.332 -0.191 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.619 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.71 -16.81 37.95 Favored 'Trans proline' 0 C--N 1.308 -1.554 0 C-N-CA 122.729 2.286 . . . . 0.0 112.114 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 79.9 m80 -106.55 160.99 15.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.376 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.414 ' CG2' ' O ' ' A' ' 7' ' ' VAL . 7.3 p -128.37 63.7 64.7 Favored Pre-proline 0 C--N 1.332 -0.169 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.921 -179.738 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -74.23 160.3 42.57 Favored 'Trans proline' 0 C--N 1.307 -1.622 0 C-N-CA 123.158 2.572 . . . . 0.0 112.58 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.463 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 0.1 OUTLIER -50.27 121.96 6.27 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.973 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.45 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 32.7 m -128.55 115.73 19.62 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 114.703 -1.135 . . . . 0.0 109.016 179.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -55.72 154.8 24.4 Favored 'Trans proline' 0 N--CA 1.489 1.263 0 C-N-CA 121.096 1.197 . . . . 0.0 111.552 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 75.2 p -50.4 150.03 5.0 Favored Pre-proline 0 CA--C 1.533 0.314 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.438 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -68.13 162.39 40.36 Favored 'Trans proline' 0 N--CA 1.495 1.61 0 C-N-CA 122.413 2.076 . . . . 0.0 112.461 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -64.37 -17.76 64.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.838 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.86 -41.97 96.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.923 0.392 . . . . 0.0 110.249 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.4 t -61.82 -46.4 96.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.083 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 57.0 t -63.14 -39.52 85.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.497 . . . . 0.0 109.93 178.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 27.1 mmm-85 -59.46 -41.93 90.85 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.211 -179.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -68.32 -38.11 81.23 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.599 -0.44 . . . . 0.0 111.112 179.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 92.1 mtp -62.31 -36.79 83.25 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.663 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 90.1 mt -71.17 -40.66 71.14 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.696 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -64.78 -45.37 86.63 Favored 'General case' 0 CA--C 1.519 -0.213 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -178.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 38.6 pt -67.26 -35.96 75.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.07 -178.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.77 -9.85 53.24 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.189 -179.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.3 mmmt 63.46 44.85 5.11 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.928 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 91.1 t -73.4 115.69 14.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.308 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.401 ' H ' ' HB2' ' A' ' 30' ' ' ASP . 67.5 m -112.15 165.58 12.02 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.661 179.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -58.04 -22.02 48.13 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.018 -179.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 57.2 p30 -96.12 5.34 51.31 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.653 -0.419 . . . . 0.0 111.157 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.401 ' HB2' ' H ' ' A' ' 27' ' ' SER . 97.0 m-20 -111.77 140.61 46.27 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.66 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.3 pp -93.7 159.74 2.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.807 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 86.6 t -125.85 122.28 61.66 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.4 179.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.548 ' CZ ' ' OE2' ' A' ' 95' ' ' GLU . 2.0 m-30 -114.76 117.48 30.89 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 177.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -134.79 143.09 46.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.889 0.376 . . . . 0.0 110.898 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -110.56 5.08 20.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.565 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.435 ' O ' ' O ' ' A' ' 37' ' ' CYS . . . -99.26 9.16 61.01 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.435 ' O ' ' O ' ' A' ' 36' ' ' GLY . 0.6 OUTLIER -41.73 -94.65 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.601 -179.538 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.36 11.69 82.24 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.434 -1.066 . . . . 0.0 110.434 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 178.83 -23.45 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.83 0.348 . . . . 0.0 110.586 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 91.42 -4.42 80.06 Favored Glycine 0 C--O 1.22 -0.737 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -59.92 -36.44 77.02 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.3 -0.56 . . . . 0.0 110.622 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.451 ' CG2' ' N ' ' A' ' 43' ' ' ILE . 18.2 tt -60.25 -43.92 94.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.196 -179.443 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.451 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 36.6 pt -88.6 -31.84 5.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -179.121 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.428 ' CD1' ' CG ' ' A' ' 71' ' ' ASN . 67.0 mt -61.82 -41.13 89.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -179.713 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 91.1 m -64.27 -26.68 68.6 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.406 0.622 . . . . 0.0 109.341 179.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.572 ' O ' ' N ' ' A' ' 50' ' ' PHE . . . -70.25 -68.34 0.43 Allowed 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.843 179.095 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.88 -37.68 77.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.671 -178.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -62.75 -45.43 92.75 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.212 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -108.04 -53.39 2.63 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.538 0.569 . . . . 0.0 112.538 -178.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.572 ' N ' ' O ' ' A' ' 46' ' ' ALA . 50.6 m-85 -70.69 -8.24 50.53 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.872 -178.582 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.539 ' OD1' ' NH1' ' A' ' 80' ' ' ARG . 46.1 t-20 51.12 34.5 11.18 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.704 -0.399 . . . . 0.0 111.475 179.033 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.1 m -55.23 127.47 14.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.365 0.603 . . . . 0.0 111.336 -178.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -45.53 -46.5 14.01 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.001 -0.999 . . . . 0.0 110.434 -178.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.501 ' HZ2' ' CG2' ' A' ' 56' ' ' VAL . 11.5 ttpp -143.14 128.6 19.0 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.403 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -125.72 127.05 45.61 Favored 'General case' 0 C--N 1.334 -0.098 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.501 ' CG2' ' HZ2' ' A' ' 54' ' ' LYS . 88.2 t -132.36 134.22 59.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.6 -179.323 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -113.34 133.14 11.07 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 110.276 -1.129 . . . . 0.0 110.276 178.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 86.5 t -106.99 126.27 63.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.44 ' OE2' ' N ' ' A' ' 61' ' ' ASN . 6.7 tm-20 -179.17 152.93 0.57 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.889 -179.429 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.46 ' O ' ' OD1' ' A' ' 61' ' ' ASN . 17.7 tt -136.12 119.57 23.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.653 179.254 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.46 ' OD1' ' O ' ' A' ' 60' ' ' ILE . 97.3 m-20 -149.32 172.2 15.28 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.415 ' O ' ' CG2' ' A' ' 65' ' ' ILE . 98.1 m-20 -102.26 -67.27 0.88 Allowed 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 120.671 -0.412 . . . . 0.0 111.392 179.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 55.1 mp0 -67.83 -39.27 83.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.713 -179.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 84.0 mtt85 -73.07 -7.8 52.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 -179.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.568 ' CD1' ' HZ1' ' A' ' 85' ' ' LYS . 16.5 tt -52.79 -42.44 42.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.553 -179.307 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.503 ' N ' ' CG2' ' A' ' 65' ' ' ILE . 37.1 ptt180 -78.07 -30.9 49.95 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.531 -179.353 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -67.3 -22.89 65.61 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.018 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -85.07 -56.66 3.44 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.34 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.0 mt -62.23 -40.44 96.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.235 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.69 -38.74 92.27 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.686 -179.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.516 ' OD1' ' ND2' ' A' ' 75' ' ' ASN . 55.4 t-20 -59.57 -47.33 85.98 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.389 -0.524 . . . . 0.0 110.602 -178.483 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.8 mp -55.15 -46.41 77.63 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 C-N-CA 120.697 -0.401 . . . . 0.0 111.035 -178.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.92 -40.02 95.51 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.173 -0.611 . . . . 0.0 109.958 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -57.28 -39.99 76.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.221 -179.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.516 ' ND2' ' OD1' ' A' ' 71' ' ' ASN . 66.5 m-80 -91.21 2.29 56.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.203 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 50.12 42.17 39.64 Favored Glycine 0 CA--C 1.525 0.697 0 C-N-CA 121.12 -0.562 . . . . 0.0 112.049 178.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.4 m -107.94 17.33 6.85 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.265 0 CA-C-N 116.936 0.368 . . . . 0.0 111.364 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.7 p -50.16 159.7 0.42 Allowed 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 121.674 0.75 . . . . 0.0 111.185 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 77.76 -12.34 16.71 Favored Glycine 0 CA--C 1.524 0.646 0 CA-C-N 114.372 -1.285 . . . . 0.0 111.223 178.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.539 ' NH1' ' OD1' ' A' ' 51' ' ' ASN . 6.9 mtp180 -121.15 -26.56 5.08 Favored 'General case' 0 CA--C 1.521 -0.135 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 179.39 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -120.56 133.98 55.33 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.839 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.0 t -147.39 163.82 35.25 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.675 -179.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.71 139.78 50.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.965 179.118 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 83.6 t -123.15 125.38 71.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.547 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.568 ' HZ1' ' CD1' ' A' ' 65' ' ' ILE . 46.9 mtpt -95.97 152.75 18.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.036 0.446 . . . . 0.0 110.812 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 137.47 -158.42 24.46 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.117 -1.193 . . . . 0.0 110.117 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -95.01 136.71 34.99 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.339 0.59 . . . . 0.0 110.593 179.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -52.11 -24.61 7.17 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.446 -178.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -90.58 -3.46 57.55 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.16 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 26.8 tp10 -95.17 0.57 54.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.596 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.3 p -119.46 144.9 26.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.156 0.503 . . . . 0.0 110.715 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -100.33 136.46 40.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.607 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 40.6 pt -118.23 6.03 6.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.057 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.516 ' OG ' ' NZ ' ' A' ' 120' ' ' LYS . 47.3 t -57.03 -36.83 70.92 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 121.055 -0.258 . . . . 0.0 110.994 -179.292 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.548 ' OE2' ' CZ ' ' A' ' 33' ' ' TYR . 2.4 pp20? -67.56 -18.66 65.09 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.478 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -71.39 138.77 49.41 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -178.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 15.0 t -99.09 -27.19 13.95 Favored 'General case' 0 CA--C 1.527 0.074 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 178.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 70.2 t -129.69 131.03 67.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.196 179.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 60.8 t -135.72 144.82 32.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.11 0.481 . . . . 0.0 111.05 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 78.8 p -128.19 157.31 41.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.059 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 63.2 tpp -132.15 129.68 40.14 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.583 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -143.16 91.79 2.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.661 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 89.7 mt -124.84 137.56 54.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.118 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 92.5 mt -63.37 -41.4 98.82 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.52 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 15.1 t -162.88 158.2 22.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.772 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 56.2 p30 -154.14 160.94 42.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.518 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.4 ' O ' ' C ' ' A' ' 108' ' ' ASN . 69.6 t -128.41 122.83 58.58 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.135 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.591 179.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 107' ' ' VAL . 74.2 m-20 37.0 -151.62 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.8 179.695 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 40.97 43.67 1.82 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.703 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 79.4 mtm -68.41 -37.25 80.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.01 0.434 . . . . 0.0 110.442 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.2 mp 51.06 61.45 3.23 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.821 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.592 ' N ' ' CD ' ' A' ' 113' ' ' PRO . 13.8 mtmt -82.74 -40.99 0.88 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.712 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.592 ' CD ' ' N ' ' A' ' 112' ' ' LYS . 29.3 Cg_exo -62.44 -24.25 75.43 Favored 'Trans proline' 0 N--CA 1.498 1.787 0 C-N-CA 122.671 2.247 . . . . 0.0 112.61 -179.284 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.477 ' HZ3' ' CG ' ' A' ' 118' ' ' GLU . 64.2 tttm -63.32 -36.07 82.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.98 -179.551 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 95.9 mt -59.76 -35.78 75.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.887 -179.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.519 ' OE2' ' NE2' ' A' ' 160' ' ' HIS . 75.0 mm-40 -64.58 -22.1 66.88 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.593 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -94.87 -42.79 8.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.605 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.477 ' CG ' ' HZ3' ' A' ' 114' ' ' LYS . 12.8 mm-40 -73.74 -51.19 17.34 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.5 -178.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 89.0 mt -86.87 132.13 33.91 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.615 -179.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.516 ' NZ ' ' OG ' ' A' ' 94' ' ' SER . 14.5 mptt -72.54 156.18 90.43 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.568 179.22 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -60.01 140.36 92.31 Favored 'Trans proline' 0 C--N 1.307 -1.635 0 C-N-CA 121.738 1.625 . . . . 0.0 111.496 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 98.07 -3.18 60.12 Favored Glycine 0 CA--C 1.522 0.499 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 4.6 m -70.9 146.73 49.39 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 178.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -99.14 126.77 44.98 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 120.971 -0.291 . . . . 0.0 110.641 -179.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 58.5 t -123.82 129.48 74.38 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.372 178.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 60.9 t -121.84 124.7 72.02 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.201 -179.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 68.4 m -97.28 161.14 13.94 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.25 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . 0.602 ' CG ' ' N ' ' A' ' 129' ' ' GLU . 28.1 t-80 -67.62 -102.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.658 -179.154 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.602 ' N ' ' CG ' ' A' ' 128' ' ' HIS . 88.4 tt0 -109.29 -24.01 11.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.202 -179.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -85.17 128.58 34.72 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.697 -179.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.415 ' OE1' ' N ' ' A' ' 131' ' ' GLU . 20.2 pm0 -75.99 161.18 29.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.692 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.497 ' CD1' ' CE1' ' A' ' 155' ' ' TYR . 70.8 mt -93.27 116.42 34.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.534 ' O ' ' NZ ' ' A' ' 112' ' ' LYS . 62.2 ttp180 -73.01 141.09 47.7 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 88.74 -25.41 9.71 Favored Glycine 0 CA--C 1.521 0.458 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 179.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 12.0 m0 -102.46 147.41 26.77 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.947 0.403 . . . . 0.0 111.228 -179.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . 0.465 ' ND2' ' O ' ' A' ' 160' ' ' HIS . 72.8 m-20 -101.74 117.36 61.87 Favored Pre-proline 0 CA--C 1.537 0.462 0 CA-C-N 115.927 -0.578 . . . . 0.0 109.704 179.334 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.12 149.35 52.04 Favored 'Trans proline' 0 N--CA 1.492 1.436 0 C-N-CA 121.593 1.529 . . . . 0.0 112.416 -179.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 48.7 tptt -80.45 -46.65 15.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.899 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -137.86 132.98 33.35 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.573 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 65.5 t -130.43 124.44 57.4 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.123 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.494 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 24.1 pt -143.14 163.59 16.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.387 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 9.1 mtmm -120.57 155.06 34.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.299 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 61.0 t -129.24 130.08 67.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.18 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -113.89 107.0 15.11 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.492 ' O ' ' SD ' ' A' ' 148' ' ' MET . 66.8 t0 -113.88 102.31 10.1 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.452 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 86.91 -110.52 3.55 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -121.38 17.68 11.4 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.569 0.223 . . . . 0.0 110.501 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' MET . . . . . 0.492 ' SD ' ' O ' ' A' ' 145' ' ' ASP . 0.5 OUTLIER -121.38 -175.18 3.02 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.02 0.438 . . . . 0.0 111.197 -179.269 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 37.9 p30 -155.26 150.32 26.82 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.097 178.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -138.02 146.99 43.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.078 -0.964 . . . . 0.0 110.096 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.434 ' O ' ' O ' ' A' ' 128' ' ' HIS . 67.5 m -123.69 140.11 53.32 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 73.7 t -129.55 131.8 66.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.691 0.281 . . . . 0.0 110.686 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -109.47 132.75 53.84 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.702 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 61.4 tp -113.23 126.51 55.49 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . 0.497 ' CE1' ' CD1' ' A' ' 132' ' ' ILE . 97.1 m-85 -120.74 166.61 13.48 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 66.8 t -133.82 127.31 52.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.558 178.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' ILE . . . . . . . . . . . . . 37.6 mm -70.57 130.95 34.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.281 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 123.32 -43.31 1.45 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.308 -1.117 . . . . 0.0 110.308 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -135.87 129.93 33.1 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . 0.768 ' HD1' ' H ' ' A' ' 161' ' ' LYS . 0.5 OUTLIER -163.27 -86.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.116 -179.451 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . 0.768 ' H ' ' HD1' ' A' ' 160' ' ' HIS . 57.2 mtmt -31.42 -52.42 0.21 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.392 -178.012 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.594 179.994 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.0 ttp . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.3 m -62.04 -40.0 94.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.559 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -128.1 147.41 50.53 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.595 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 28.7 m -129.49 149.45 72.87 Favored Pre-proline 0 CA--C 1.532 0.261 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.217 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -70.69 152.36 64.47 Favored 'Trans proline' 0 N--CA 1.495 1.564 0 C-N-CA 122.181 1.921 . . . . 0.0 112.213 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -117.91 108.3 15.13 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.702 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.9 p -140.4 69.79 32.78 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.642 179.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -56.87 139.14 88.54 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.816 2.344 . . . . 0.0 112.519 -179.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -139.35 123.84 18.29 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.388 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 58.2 t -108.03 107.36 60.16 Favored Pre-proline 0 CA--C 1.538 0.481 0 C-N-CA 121.122 -0.231 . . . . 0.0 111.195 -179.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -55.36 151.04 38.57 Favored 'Trans proline' 0 N--CA 1.497 1.724 0 C-N-CA 121.807 1.671 . . . . 0.0 111.782 178.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 29.3 p -100.85 107.51 49.74 Favored Pre-proline 0 CA--C 1.536 0.405 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.685 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.76 152.93 32.7 Favored 'Trans proline' 0 N--CA 1.496 1.676 0 C-N-CA 121.664 1.576 . . . . 0.0 111.696 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -61.07 -17.69 53.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.162 0.506 . . . . 0.0 109.804 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -61.83 -40.6 95.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.546 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.5 t -61.78 -47.66 92.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.55 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 55.7 t -63.89 -39.46 85.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.901 0.382 . . . . 0.0 110.091 179.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.526 ' NH2' ' OD2' ' A' ' 49' ' ' ASP . 10.0 mmm180 -59.91 -40.99 90.69 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.469 -179.541 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.0 mmt85 -67.32 -35.76 80.07 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.515 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 63.7 mtt -64.91 -29.94 70.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.401 0.619 . . . . 0.0 110.517 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 93.8 mt -76.45 -40.53 50.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.434 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -64.6 -43.93 92.23 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.205 -0.452 . . . . 0.0 112.007 -178.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.0 pt -69.48 -37.73 75.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.097 -178.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.16 -6.07 31.67 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.02 0.438 . . . . 0.0 110.257 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp 61.05 38.81 16.95 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.999 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 79.1 t -68.57 123.61 22.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.897 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.404 ' H ' ' HB2' ' A' ' 30' ' ' ASP . 17.3 t -115.49 174.72 5.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.703 179.43 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -62.65 -21.87 66.02 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.42 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 57.8 p30 -100.21 8.35 43.86 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.191 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.404 ' HB2' ' H ' ' A' ' 27' ' ' SER . 96.8 m-20 -107.56 131.58 54.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.813 0.339 . . . . 0.0 110.761 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.444 ' CD1' ' C ' ' A' ' 31' ' ' ILE . 0.9 OUTLIER -84.89 154.36 3.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.744 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 93.3 t -126.98 118.11 49.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.043 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.503 ' OH ' ' NZ ' ' A' ' 54' ' ' LYS . 11.4 m-30 -113.27 109.01 18.05 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.112 176.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -103.63 121.81 43.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.998 0.427 . . . . 0.0 111.055 -179.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.456 ' O ' ' O ' ' A' ' 58' ' ' VAL . 90.4 mt -61.7 -37.47 84.27 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -178.703 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -134.86 96.67 0.28 Allowed Glycine 0 CA--C 1.528 0.863 0 C-N-CA 120.378 -0.915 . . . . 0.0 112.425 -178.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.5 ' SG ' ' N ' ' A' ' 38' ' ' GLY . 19.2 p -81.4 -57.61 3.41 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.729 0.3 . . . . 0.0 110.984 178.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.5 ' N ' ' SG ' ' A' ' 37' ' ' CYS . . . 80.67 7.4 88.6 Favored Glycine 0 CA--C 1.529 0.933 0 C-N-CA 121.104 -0.569 . . . . 0.0 112.038 179.396 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.434 ' CB ' ' O ' ' A' ' 38' ' ' GLY . 1.0 OUTLIER 164.79 -5.36 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 116.998 0.399 . . . . 0.0 111.258 179.815 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.93 3.54 89.15 Favored Glycine 0 C--O 1.222 -0.631 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -69.04 -11.01 60.4 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 122.255 -0.556 . . . . 0.0 110.255 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.426 ' CG2' ' N ' ' A' ' 43' ' ' ILE . 12.5 tt -86.16 -40.11 14.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.832 179.311 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.426 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 37.3 pt -96.55 -30.03 3.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 N-CA-C 112.192 0.442 . . . . 0.0 112.192 -178.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.437 ' CD1' ' CG ' ' A' ' 71' ' ' ASN . 73.6 mt -61.03 -42.74 94.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.949 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 96.8 m -58.4 -49.96 75.39 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 119.721 -0.792 . . . . 0.0 110.275 -178.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 50' ' ' PHE . . . -58.01 -51.48 69.47 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 119.911 -0.716 . . . . 0.0 112.089 -177.492 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.25 -41.9 97.7 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.352 -0.539 . . . . 0.0 111.562 -178.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.668 ' HZ2' ' ND2' ' A' ' 75' ' ' ASN . 39.9 ttmt -64.76 -46.39 82.34 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.439 -179.536 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.526 ' OD2' ' NH2' ' A' ' 18' ' ' ARG . 64.1 t0 -101.55 -54.45 2.75 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -177.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.502 ' N ' ' O ' ' A' ' 46' ' ' ALA . 53.0 m-85 -75.44 -2.69 29.91 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.403 -0.519 . . . . 0.0 112.19 -178.27 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 60.2 t30 48.8 37.64 10.24 Favored 'General case' 0 C--O 1.232 0.18 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 178.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.8 m -58.25 134.23 23.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.618 0.723 . . . . 0.0 111.71 -178.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -51.06 -48.72 61.51 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.529 -178.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.503 ' NZ ' ' OH ' ' A' ' 33' ' ' TYR . 23.5 ttpt -142.63 131.6 23.03 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.329 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 80' ' ' ARG . . . -129.78 129.92 44.7 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 121.063 0.459 . . . . 0.0 110.312 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 67.7 t -134.54 135.64 53.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.978 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -119.77 129.68 8.1 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 109.855 -1.298 . . . . 0.0 109.855 178.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.456 ' O ' ' O ' ' A' ' 35' ' ' LEU . 62.2 t -95.94 125.67 48.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 C-N-CA 120.238 -0.585 . . . . 0.0 109.985 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -132.4 -167.42 1.89 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.791 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.401 ' O ' ' ND2' ' A' ' 61' ' ' ASN . 6.3 tt 170.84 84.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 178.643 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.401 ' ND2' ' O ' ' A' ' 60' ' ' ILE . 28.7 m120 -147.65 177.54 9.2 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 -179.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -100.0 -66.39 0.91 Allowed 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.508 -0.477 . . . . 0.0 111.39 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -69.36 -39.3 78.15 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -179.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -75.27 -7.86 55.06 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.509 -178.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.442 ' CG2' ' N ' ' A' ' 66' ' ' ARG . 13.1 tt -63.93 -38.04 81.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 C-N-CA 120.488 -0.485 . . . . 0.0 111.355 -179.113 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.442 ' N ' ' CG2' ' A' ' 65' ' ' ILE . 7.1 ptm85 -83.37 -29.85 27.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.561 -179.111 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.69 -45.78 92.5 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.912 -179.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.54 -40.96 93.46 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 121.012 -0.275 . . . . 0.0 111.739 -179.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 68.6 mt -62.97 -42.59 99.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.094 0.473 . . . . 0.0 110.426 179.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.55 -39.33 93.56 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.945 -179.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.437 ' CG ' ' CD1' ' A' ' 44' ' ' ILE . 55.2 t-20 -59.79 -45.88 90.92 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.549 -0.461 . . . . 0.0 110.656 -178.467 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.4 mp -52.17 -48.77 42.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 121.091 -0.244 . . . . 0.0 110.567 -179.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -63.36 -41.9 98.85 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.634 -0.427 . . . . 0.0 110.626 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm -55.85 -37.17 68.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.247 -178.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.668 ' ND2' ' HZ2' ' A' ' 48' ' ' LYS . 34.8 m120 -95.34 5.1 52.58 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.501 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 47.69 42.76 21.24 Favored Glycine 0 N--CA 1.463 0.476 0 C-N-CA 121.031 -0.604 . . . . 0.0 111.603 177.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 18.0 m -104.34 11.34 8.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 120.736 -0.386 . . . . 0.0 111.127 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.02 122.71 9.89 Favored 'General case' 0 CA--C 1.52 -0.201 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.603 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 113.47 -11.36 23.76 Favored Glycine 0 CA--C 1.519 0.321 0 N-CA-C 110.164 -1.174 . . . . 0.0 110.164 -179.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.461 ' O ' ' N ' ' A' ' 55' ' ' ALA . 68.5 mtt180 -127.55 -24.77 3.26 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 178.644 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -126.05 133.43 51.72 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.9 -179.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 87.6 p -147.12 164.6 32.58 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.8 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -130.44 138.14 54.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.913 0.387 . . . . 0.0 110.765 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 77.9 t -127.73 131.83 69.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.486 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.8 ptmt -91.79 148.27 22.36 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.275 -0.57 . . . . 0.0 110.224 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 118.7 -173.88 15.09 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -86.63 171.81 10.72 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 110.395 -0.224 . . . . 0.0 110.395 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.428 ' O ' ' O ' ' A' ' 91' ' ' VAL . 52.7 p90 -72.88 -4.25 30.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.023 0.44 . . . . 0.0 109.883 179.108 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -78.8 -40.2 33.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.638 178.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -60.8 -26.83 67.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.825 -1.08 . . . . 0.0 110.75 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.428 ' O ' ' O ' ' A' ' 88' ' ' PHE . 30.3 m -125.37 161.27 30.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.08 0.467 . . . . 0.0 110.79 -179.546 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -106.49 135.76 47.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.177 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 42.8 pt -122.88 10.21 5.44 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.132 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.248 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' A' ' 118' ' ' GLU . 89.0 p -60.61 -30.86 70.11 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.473 -0.491 . . . . 0.0 111.129 -179.366 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.419 ' OE2' ' OH ' ' A' ' 33' ' ' TYR . 24.7 pt-20 -73.94 -17.3 61.03 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.816 0.341 . . . . 0.0 111.387 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.95 131.91 46.85 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.986 -178.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 15.3 t -93.1 -33.24 14.14 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.23 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 66.0 t -129.43 128.58 66.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.117 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 28.1 m -135.85 151.72 29.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.202 178.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 86.5 m -138.11 147.35 43.9 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.449 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 98.9 mtp -109.34 145.39 36.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.623 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.479 ' CD2' ' O ' ' A' ' 103' ' ' LEU . 88.7 t80 -117.47 150.46 38.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.572 -179.406 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.492 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 92.8 mt -52.76 148.38 7.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.245 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.492 ' CB ' ' O ' ' A' ' 103' ' ' LEU . 1.5 tt 84.98 91.74 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.256 -179.402 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 95.1 m -116.36 128.99 56.01 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.356 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -99.69 10.92 40.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.838 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 85.0 t -88.33 118.42 33.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.919 0.39 . . . . 0.0 110.835 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 55.3 p30 -131.8 18.87 4.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.993 179.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -71.69 -12.64 61.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.285 -179.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 60.8 mtt 58.82 95.78 0.03 OUTLIER 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 -179.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 177.21 75.09 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.575 -179.71 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.593 ' N ' ' CD ' ' A' ' 113' ' ' PRO . 14.8 mttt -84.45 -42.19 0.72 Allowed Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.23 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.593 ' CD ' ' N ' ' A' ' 112' ' ' LYS . 33.5 Cg_exo -57.79 -9.27 5.44 Favored 'Trans proline' 0 N--CA 1.496 1.646 0 C-N-CA 122.898 2.399 . . . . 0.0 112.538 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 23.5 pttp -58.75 -30.26 67.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.98 0.419 . . . . 0.0 111.244 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 96.9 mt -59.98 -36.82 77.96 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.395 -178.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.467 ' OE2' ' NE2' ' A' ' 160' ' ' HIS . 96.4 mt-10 -63.99 -23.74 67.45 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.966 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -99.03 -39.12 8.69 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.837 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.475 ' O ' ' CB ' ' A' ' 94' ' ' SER . 77.0 mm-40 -73.87 -52.07 14.18 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.008 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 83.8 mt -85.96 136.26 33.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.291 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -76.02 156.81 83.99 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.721 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_exo -58.53 139.45 90.7 Favored 'Trans proline' 0 N--CA 1.497 1.691 0 C-N-CA 121.531 1.488 . . . . 0.0 112.085 178.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 98.56 -7.12 61.3 Favored Glycine 0 CA--C 1.52 0.369 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 179.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 1.2 m -71.57 147.95 47.14 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 178.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -106.56 131.81 53.29 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 120.954 0.406 . . . . 0.0 111.044 -179.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 57.6 t -123.84 130.9 73.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.73 179.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 60.1 t -119.43 124.03 72.24 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.159 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.481 -179.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 64.4 m -96.9 148.99 22.38 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.476 -0.49 . . . . 0.0 110.143 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . 0.562 ' ND1' ' N ' ' A' ' 129' ' ' GLU . 53.7 t-80 -58.48 -100.4 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.36 -179.282 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.562 ' N ' ' ND1' ' A' ' 128' ' ' HIS . 88.3 tt0 -107.34 -26.48 10.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.101 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -87.09 128.9 35.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.194 0.521 . . . . 0.0 111.3 -179.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -79.79 163.48 24.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.25 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 77.1 mt -97.09 114.59 34.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.176 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.474 ' C ' ' H ' ' A' ' 135' ' ' TRP . 5.8 ptm180 -67.11 155.93 37.47 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.326 -0.549 . . . . 0.0 110.3 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 76.46 -24.16 1.83 Allowed Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.734 -0.946 . . . . 0.0 110.734 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . 0.474 ' H ' ' C ' ' A' ' 133' ' ' ARG . 10.5 m0 -100.29 147.91 25.25 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.007 0.432 . . . . 0.0 111.541 -179.286 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -104.95 115.58 62.19 Favored Pre-proline 0 CA--C 1.535 0.396 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.661 179.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -71.75 151.09 57.18 Favored 'Trans proline' 0 N--CA 1.492 1.432 0 C-N-CA 121.454 1.436 . . . . 0.0 112.332 -179.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -84.77 -50.08 7.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.284 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.536 ' OE1' ' N ' ' A' ' 140' ' ' VAL . 7.6 tp10 -131.75 124.32 29.49 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.134 -179.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.536 ' N ' ' OE1' ' A' ' 139' ' ' GLU . 58.2 t -125.8 125.22 67.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.381 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 23.8 pt -141.23 162.2 21.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 121.205 0.526 . . . . 0.0 111.737 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 22.4 mtmt -120.43 149.99 41.49 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.988 -1.005 . . . . 0.0 111.784 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 63.6 t -123.09 127.44 74.64 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.046 179.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . 0.402 ' N ' ' OE1' ' A' ' 144' ' ' GLU . 43.8 mp0 -113.68 124.4 52.22 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.955 0.407 . . . . 0.0 110.898 -179.425 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -149.4 156.87 42.72 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 179.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 49.73 -131.32 27.21 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.253 -1.139 . . . . 0.0 110.253 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -111.41 20.2 17.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.638 0.256 . . . . 0.0 110.321 179.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' MET . . . . . 0.587 ' N ' ' SD ' ' A' ' 148' ' ' MET . 1.3 mpt? -141.54 157.26 45.35 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.111 -179.692 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -123.09 165.65 16.47 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.055 179.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -138.81 149.24 44.72 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.324 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 65.6 m -123.98 140.04 53.37 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 86.1 t -128.28 131.06 69.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.469 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -109.48 132.68 53.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.32 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 66.2 tp -114.69 123.79 50.18 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.23 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -118.11 160.3 21.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.98 0.419 . . . . 0.0 110.275 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 67.2 t -129.34 125.87 62.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.375 178.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' ILE . . . . . 0.446 HG21 HD12 ' A' ' 157' ' ' ILE . 39.5 mm -68.51 132.89 32.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.591 -179.472 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 123.35 -42.65 1.55 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 109.975 -1.25 . . . . 0.0 109.975 -179.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -132.18 142.6 49.51 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 179.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . 0.67 ' CD2' ' H ' ' A' ' 161' ' ' LYS . 15.2 p-80 -165.41 -107.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.538 -0.465 . . . . 0.0 111.442 -179.572 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . 0.67 ' H ' ' CD2' ' A' ' 160' ' ' HIS . 37.3 ttmt -39.2 -59.58 1.01 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.779 -178.562 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.598 179.988 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.7 mmm . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.2 p -154.1 162.15 41.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.445 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 94.2 t80 -124.02 125.25 44.23 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.68 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 27.0 m -133.92 149.24 71.19 Favored Pre-proline 0 CA--C 1.534 0.335 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.105 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.49 149.02 61.61 Favored 'Trans proline' 0 N--CA 1.496 1.618 0 C-N-CA 122.034 1.823 . . . . 0.0 112.041 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -151.38 99.19 2.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.669 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.435 ' CG2' ' O ' ' A' ' 7' ' ' VAL . 7.2 p -141.93 58.56 8.25 Favored Pre-proline 0 C--O 1.232 0.171 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.935 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -74.1 162.06 39.63 Favored 'Trans proline' 0 C--N 1.303 -1.817 0 C-N-CA 123.185 2.59 . . . . 0.0 112.38 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -55.6 139.01 45.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.064 179.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.1 t -118.08 115.59 36.39 Favored Pre-proline 0 CA--C 1.538 0.501 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.574 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -74.52 159.79 42.44 Favored 'Trans proline' 0 N--CA 1.494 1.547 0 C-N-CA 121.673 1.582 . . . . 0.0 111.889 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 59.3 p -60.99 150.13 79.26 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.182 -179.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -70.75 164.99 33.56 Favored 'Trans proline' 0 N--CA 1.493 1.462 0 C-N-CA 122.203 1.935 . . . . 0.0 112.736 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -59.55 -27.1 65.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.1 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -58.99 -40.65 85.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.469 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 55.5 t -62.28 -46.29 96.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.322 179.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 57.3 t -63.69 -40.05 87.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.075 179.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.588 ' HE ' ' CG2' ' A' ' 45' ' ' THR . 17.5 mmt85 -59.98 -41.51 92.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.288 -179.326 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.0 mmt85 -66.59 -38.86 87.92 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.568 -0.453 . . . . 0.0 111.349 179.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 95.1 mtp -62.5 -36.79 83.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.319 0.58 . . . . 0.0 110.959 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 93.7 mt -70.96 -40.73 71.8 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.597 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -65.78 -44.48 85.64 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -178.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.3 pt -67.11 -36.4 76.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.802 -178.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.34 -9.81 50.55 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt 59.92 33.65 21.54 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.639 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.8 p -65.92 124.44 20.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.292 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.0 t -114.64 173.16 6.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.977 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 17.8 pm0 -61.1 -21.09 63.37 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.463 -179.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -97.42 7.68 46.05 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.911 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -110.87 134.92 52.14 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.195 -179.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.426 ' CD1' ' C ' ' A' ' 31' ' ' ILE . 1.1 pp -85.07 154.67 3.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.18 179.34 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 94.4 t -124.58 116.51 47.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.412 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.529 ' CZ ' ' OE2' ' A' ' 95' ' ' GLU . 11.3 m-30 -113.94 124.87 53.23 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 176.576 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -146.31 150.71 36.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.761 0.315 . . . . 0.0 111.474 -179.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -111.15 8.66 21.77 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.6 179.438 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.452 ' O ' ' O ' ' A' ' 37' ' ' CYS . . . -94.4 11.4 70.34 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 -179.653 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.587 ' SG ' ' N ' ' A' ' 38' ' ' GLY . 34.8 t -50.87 -106.21 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.628 0.251 . . . . 0.0 111.031 -179.537 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.587 ' N ' ' SG ' ' A' ' 37' ' ' CYS . . . 76.9 8.19 86.59 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.389 -1.084 . . . . 0.0 110.389 -179.629 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.53 ' OD1' ' N ' ' A' ' 40' ' ' GLY . 54.9 p-10 -176.15 -23.57 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.067 0.461 . . . . 0.0 110.203 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.577 ' N ' ' SG ' ' A' ' 37' ' ' CYS . . . 90.3 -4.5 82.67 Favored Glycine 0 C--O 1.217 -0.957 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 179.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.511 ' NH2' ' OD2' ' A' ' 39' ' ' ASP . 39.4 ttp-105 -57.94 -37.2 73.68 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.156 -0.618 . . . . 0.0 110.182 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.439 ' CG2' ' N ' ' A' ' 43' ' ' ILE . 17.1 tt -60.51 -43.65 94.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.443 -0.798 . . . . 0.0 111.484 -179.116 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.439 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 34.8 pt -90.3 -30.48 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -179.243 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 70.3 mt -61.88 -42.3 94.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 111.703 0.26 . . . . 0.0 111.703 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.588 ' CG2' ' HE ' ' A' ' 18' ' ' ARG . 85.6 m -64.46 -24.06 67.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.214 0.531 . . . . 0.0 110.13 179.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.561 ' O ' ' N ' ' A' ' 50' ' ' PHE . . . -73.92 -66.45 0.71 Allowed 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.884 178.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.34 -39.15 82.25 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.437 -178.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -62.92 -46.18 89.01 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.803 -0.359 . . . . 0.0 111.336 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -105.11 -53.83 2.59 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -178.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.561 ' N ' ' O ' ' A' ' 46' ' ' ALA . 53.2 m-85 -72.04 -6.97 46.16 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -178.527 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 60.0 t30 49.18 35.24 7.01 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.503 -0.479 . . . . 0.0 111.545 178.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 24.6 m -44.61 165.53 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 CA-C-O 121.278 0.561 . . . . 0.0 110.877 -179.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -74.17 -50.22 20.22 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.223 -0.899 . . . . 0.0 108.959 177.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.7 ttpt -148.23 125.5 11.53 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 114.839 -1.073 . . . . 0.0 109.368 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 80' ' ' ARG . . . -116.04 124.85 51.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.939 0.399 . . . . 0.0 110.04 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 73.9 t -131.62 135.52 58.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.059 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -114.13 135.7 12.69 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.253 -1.139 . . . . 0.0 110.253 178.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 94.5 t -105.52 123.0 59.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -170.96 147.73 2.7 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.763 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.495 ' O ' ' ND2' ' A' ' 61' ' ' ASN . 20.4 tt -134.02 116.16 22.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.041 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.495 ' ND2' ' O ' ' A' ' 60' ' ' ILE . 27.1 m120 -149.3 -176.21 5.28 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -111.45 -70.26 0.82 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.968 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -70.2 -38.93 75.43 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.499 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 84.1 mtt85 -80.14 -7.96 59.18 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.568 -179.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 4.9 tp -65.23 -37.23 79.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.232 -0.587 . . . . 0.0 110.708 -179.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -81.46 -27.98 34.36 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.741 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -61.73 -47.86 83.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.199 -179.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.66 -41.23 94.61 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 -178.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 27.0 mt -61.54 -39.97 92.99 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.183 0.516 . . . . 0.0 110.236 179.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.24 -39.34 92.52 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.953 -179.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -60.54 -42.93 97.51 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.176 -0.61 . . . . 0.0 111.181 -178.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.9 mp -55.5 -47.02 79.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.438 -0.505 . . . . 0.0 111.008 -178.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -63.9 -40.56 96.79 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.255 -0.578 . . . . 0.0 109.99 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -56.85 -39.2 73.86 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.056 -178.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 32.7 m120 -93.61 3.59 55.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.66 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 49.23 43.42 33.58 Favored Glycine 0 CA--C 1.528 0.857 0 C-N-CA 121.045 -0.598 . . . . 0.0 112.173 177.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 4.5 m -110.25 17.53 7.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.763 0.281 . . . . 0.0 111.462 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.5 p -48.36 160.88 0.14 Allowed 'General case' 0 CA--C 1.514 -0.409 0 CA-C-O 121.579 0.704 . . . . 0.0 111.424 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 79.69 -27.01 2.62 Favored Glycine 0 N--CA 1.446 -0.658 0 CA-C-N 114.608 -1.178 . . . . 0.0 111.414 178.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.432 ' O ' ' N ' ' A' ' 55' ' ' ALA . 34.0 mtp85 -107.01 -24.95 11.81 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-O 120.864 0.364 . . . . 0.0 110.195 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -117.31 128.89 55.51 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.653 -179.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 60.4 m -141.82 160.54 39.97 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.409 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.41 138.37 54.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.518 178.641 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 90.1 t -125.99 129.68 72.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.11 -179.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -96.93 153.64 17.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.008 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 130.01 -162.32 23.03 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.216 -1.154 . . . . 0.0 110.216 -179.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -98.95 125.48 44.41 Favored 'General case' 0 C--N 1.33 -0.283 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.661 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -51.22 -26.59 7.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.865 -179.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -61.07 -48.56 81.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.255 0.55 . . . . 0.0 109.766 179.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.55 -39.05 93.41 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.157 -0.928 . . . . 0.0 110.835 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 87.8 t -70.09 131.06 34.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.763 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -91.62 129.38 37.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.157 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 37.9 pt -123.48 13.79 5.2 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.753 -179.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 88.1 p -58.52 -32.94 69.32 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.419 -0.513 . . . . 0.0 111.136 -179.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.529 ' OE2' ' CZ ' ' A' ' 33' ' ' TYR . 2.2 pp20? -73.35 -15.87 61.37 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.803 -179.284 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.83 131.32 45.31 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.533 -0.467 . . . . 0.0 111.859 -178.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 15.2 t -94.1 -30.74 14.5 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.552 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 69.1 t -126.32 125.16 67.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.579 179.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.415 ' CG1' ' N ' ' A' ' 100' ' ' THR . 42.0 t -138.53 151.54 24.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.116 0.484 . . . . 0.0 111.469 -179.478 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.415 ' N ' ' CG1' ' A' ' 99' ' ' VAL . 8.3 t -129.55 148.18 51.43 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.105 178.581 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.6 ttt -115.26 123.76 49.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.032 0.444 . . . . 0.0 111.044 -178.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -135.57 111.13 9.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.215 179.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -139.99 134.22 31.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.548 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 60.5 tp -61.77 -44.15 97.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.135 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 15.4 t -150.03 160.52 43.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.568 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.524 HD22 ' C ' ' A' ' 109' ' ' GLU . 64.2 t30 -88.07 99.73 12.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.602 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.3 p -72.13 -33.29 46.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.212 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.521 ' O ' ' ND2' ' A' ' 106' ' ' ASN . 4.3 t-20 -118.72 -149.55 0.44 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.971 -179.19 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.524 ' C ' HD22 ' A' ' 106' ' ' ASN . 99.4 mt-10 -58.77 147.69 32.39 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.182 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.443 ' N ' HD22 ' A' ' 106' ' ' ASN . 99.0 mtp -71.94 -39.12 69.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.2 0.524 . . . . 0.0 110.332 178.592 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 10.8 mp -81.87 147.83 29.11 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.663 -178.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -130.1 72.78 81.81 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.245 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.77 -13.61 34.9 Favored 'Trans proline' 0 N--CA 1.495 1.606 0 C-N-CA 122.133 1.888 . . . . 0.0 111.869 -179.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.435 ' N ' ' CD ' ' A' ' 114' ' ' LYS . 3.0 mptp? -59.79 -34.16 72.65 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.249 179.687 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 98.7 mt -59.58 -35.53 74.47 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.408 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -62.88 -24.52 67.85 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.764 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -97.14 -39.79 9.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.9 179.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -76.23 -52.91 9.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.349 -178.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 6.7 mp -82.62 132.21 35.19 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -73.99 152.04 88.58 Favored Pre-proline 0 C--N 1.327 -0.406 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.682 -179.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_exo -53.12 137.72 62.86 Favored 'Trans proline' 0 N--CA 1.494 1.536 0 C-N-CA 121.542 1.495 . . . . 0.0 111.867 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 100.95 -4.25 55.99 Favored Glycine 0 CA--C 1.52 0.403 0 N-CA-C 111.396 -0.682 . . . . 0.0 111.396 179.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 6.0 m -70.57 145.96 50.43 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 178.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -96.11 124.74 40.24 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 59.8 t -121.74 125.81 73.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.559 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 57.7 t -120.53 122.32 67.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.319 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 49.2 m -91.18 159.43 16.07 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.073 179.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . 0.53 ' CG ' ' N ' ' A' ' 129' ' ' GLU . 19.1 t-160 -70.65 -103.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.563 -179.401 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.53 ' N ' ' CG ' ' A' ' 128' ' ' HIS . 52.7 tp10 -102.16 -37.78 7.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.509 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -76.33 139.83 41.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.238 -179.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -84.21 163.65 19.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.309 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 65.5 mt -93.83 117.87 38.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 13.9 mtt-85 -78.78 145.03 34.59 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.111 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 86.81 -21.89 16.89 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 23.2 m0 -108.34 152.68 24.32 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-O 120.869 0.366 . . . . 0.0 110.67 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -105.92 118.46 55.12 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.939 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.67 148.34 58.96 Favored 'Trans proline' 0 N--CA 1.491 1.343 0 C-N-CA 121.205 1.27 . . . . 0.0 111.736 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -82.98 -48.48 10.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.023 0.44 . . . . 0.0 109.912 179.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -143.06 130.01 20.59 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.603 -179.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 12.4 p -141.47 135.55 31.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.948 0.404 . . . . 0.0 110.28 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 23.7 pt -141.01 168.29 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.627 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -119.72 150.8 39.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.616 179.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 58.1 t -126.51 129.57 71.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.486 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -110.0 119.37 39.11 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -139.07 97.44 3.3 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.526 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 96.74 -120.47 6.69 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -114.56 15.76 17.7 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 120.71 0.29 . . . . 0.0 110.569 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 63.8 mtt -140.45 157.89 44.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.355 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 55.3 p30 -124.29 164.43 19.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.131 0.491 . . . . 0.0 110.698 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -136.57 144.75 44.34 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.9 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 27.2 m -123.12 140.15 53.32 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 87.8 t -131.54 132.2 62.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.738 0.304 . . . . 0.0 110.896 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -107.5 133.58 51.78 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.326 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 68.8 tp -114.61 126.31 54.76 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . 0.44 ' OH ' ' O ' ' A' ' 159' ' ' GLU . 70.2 t80 -144.43 133.42 22.69 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.482 -179.326 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 7.4 p -99.75 140.54 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.035 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' ILE . . . . . . . . . . . . . 48.0 mm -73.19 133.37 31.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.72 -179.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 145.9 -31.0 1.63 Allowed Glycine 0 CA--C 1.527 0.821 0 N-CA-C 111.479 -0.648 . . . . 0.0 111.479 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . 0.44 ' O ' ' OH ' ' A' ' 155' ' ' TYR . 99.1 mt-10 -144.98 100.14 3.44 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 179.184 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . 0.52 ' ND1' ' O ' ' A' ' 160' ' ' HIS . 32.7 p80 -119.4 120.19 36.14 Favored 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 121.058 -0.257 . . . . 0.0 111.08 -179.579 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt 168.94 169.29 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.014 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.542 179.911 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.2 tpt . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.7 m -126.57 150.48 48.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.414 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -109.72 133.86 52.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.654 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 19.4 m -71.29 149.44 94.11 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.934 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -70.06 110.63 2.66 Favored 'Trans proline' 0 N--CA 1.493 1.444 0 C-N-CA 121.81 1.673 . . . . 0.0 112.17 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -67.81 139.12 56.57 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.693 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.4 t 49.91 70.29 2.14 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.014 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -57.49 145.74 87.08 Favored 'Trans proline' 0 C--N 1.304 -1.803 0 C-N-CA 123.069 2.513 . . . . 0.0 112.079 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -109.63 123.09 48.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.206 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.1 p -134.51 135.84 24.49 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.674 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -75.55 162.09 36.22 Favored 'Trans proline' 0 N--CA 1.492 1.433 0 C-N-CA 122.101 1.868 . . . . 0.0 111.801 179.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 48.4 p -67.51 157.62 85.22 Favored Pre-proline 0 C--N 1.329 -0.314 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.049 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -56.68 146.3 77.47 Favored 'Trans proline' 0 N--CA 1.496 1.64 0 C-N-CA 121.616 1.544 . . . . 0.0 112.024 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.71 -24.34 63.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.01 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -60.56 -39.25 87.3 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 57.3 t -60.92 -46.54 96.27 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.991 -179.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -69.64 -29.31 40.8 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.143 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.492 -179.36 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.538 HH22 ' CG ' ' A' ' 49' ' ' ASP . 18.3 mmt180 -62.24 -40.87 97.6 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.189 179.694 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.3 mmt180 -70.0 -39.38 75.9 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 76.1 mtm -64.44 -34.4 78.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.116 0.484 . . . . 0.0 110.869 -179.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 86.6 mt -70.24 -40.31 74.51 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.601 179.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -63.64 -44.14 94.73 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -179.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.457 ' C ' ' H ' ' A' ' 25' ' ' LYS . 35.4 pt -72.83 -32.09 38.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.373 -178.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 25' ' ' LYS . . . -81.81 31.35 0.36 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.125 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.457 ' H ' ' C ' ' A' ' 23' ' ' ILE . 11.0 tptp 28.21 61.53 0.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.252 -0.885 . . . . 0.0 112.267 178.371 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.9 t -91.74 111.86 24.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.099 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.541 ' N ' ' OD2' ' A' ' 30' ' ' ASP . 70.4 m -112.04 165.33 12.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.092 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -59.4 -19.84 50.29 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.902 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -98.03 2.65 49.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.053 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.541 ' OD2' ' N ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -108.77 139.42 43.61 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.24 -179.183 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.2 pp -89.28 154.4 3.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.842 0.353 . . . . 0.0 110.704 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 85.4 t -123.8 118.7 54.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.625 179.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.534 ' CZ ' ' OE2' ' A' ' 95' ' ' GLU . 9.6 m-30 -115.31 99.65 7.55 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 177.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -93.76 121.26 35.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.952 0.406 . . . . 0.0 110.549 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 91.5 mt -63.12 -36.18 82.73 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -178.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -134.98 98.47 0.3 Allowed Glycine 0 CA--C 1.528 0.866 0 C-N-CA 120.486 -0.864 . . . . 0.0 112.484 -179.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.504 ' SG ' ' N ' ' A' ' 38' ' ' GLY . 22.4 p -85.05 -58.5 2.66 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 121.064 -0.255 . . . . 0.0 111.135 178.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.504 ' N ' ' SG ' ' A' ' 37' ' ' CYS . . . 80.17 10.09 85.88 Favored Glycine 0 CA--C 1.529 0.932 0 C-N-CA 121.022 -0.609 . . . . 0.0 111.766 179.537 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.422 ' CB ' ' O ' ' A' ' 38' ' ' GLY . 1.0 OUTLIER 166.1 -13.59 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 116.869 0.335 . . . . 0.0 111.235 179.709 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 91.94 -7.07 79.29 Favored Glycine 0 C--O 1.22 -0.728 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 60.5 ttm-85 -56.6 -28.79 61.17 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.352 0.596 . . . . 0.0 109.961 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.464 ' CG2' ' N ' ' A' ' 43' ' ' ILE . 13.8 tt -67.0 -43.51 89.05 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.334 -179.424 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.464 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 34.9 pt -91.87 -29.0 4.62 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -178.753 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 73.6 mt -61.27 -41.93 91.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.605 -0.271 . . . . 0.0 111.439 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 97.1 m -65.92 -22.95 66.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.215 0.531 . . . . 0.0 109.936 179.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.563 ' O ' ' N ' ' A' ' 50' ' ' PHE . . . -74.25 -67.74 0.59 Allowed 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.997 179.138 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.59 -38.02 80.11 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.498 -178.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -63.43 -45.62 90.07 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.266 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.538 ' CG ' HH22 ' A' ' 18' ' ' ARG . 33.8 t70 -106.6 -53.3 2.64 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -178.53 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.563 ' N ' ' O ' ' A' ' 46' ' ' ALA . 45.2 m-85 -69.9 -7.65 42.13 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.697 -0.401 . . . . 0.0 111.976 -178.634 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.534 ' OD1' ' NH2' ' A' ' 80' ' ' ARG . 55.3 t30 51.34 31.42 7.1 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.985 178.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 9.0 m -43.13 164.73 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.571 0 CA-C-O 121.223 0.535 . . . . 0.0 110.743 -179.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.4 ttmt -77.02 -50.38 13.25 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.32 178.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -145.81 129.05 16.72 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 114.64 -1.164 . . . . 0.0 109.45 -179.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 80' ' ' ARG . . . -123.3 128.0 49.33 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.966 0.412 . . . . 0.0 110.796 -179.563 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.6 t -134.41 137.07 52.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -119.2 132.39 9.57 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 109.856 -1.297 . . . . 0.0 109.856 178.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 59.9 t -95.46 122.51 47.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 C-N-CA 120.267 -0.573 . . . . 0.0 109.643 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.429 ' OE1' ' ND2' ' A' ' 61' ' ' ASN . 0.5 OUTLIER -163.05 139.15 7.08 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.908 -179.761 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.454 ' CG2' ' O ' ' A' ' 60' ' ' ILE . 18.8 tt -132.94 114.15 21.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.751 -0.658 . . . . 0.0 109.359 179.067 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.433 ' OD1' ' O ' ' A' ' 60' ' ' ILE . 81.9 m-20 -149.41 -173.76 4.48 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 -179.699 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -114.4 -70.03 0.82 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.728 0.299 . . . . 0.0 110.786 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -71.69 -38.9 70.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.042 0.449 . . . . 0.0 111.245 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -80.84 -7.83 59.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.849 -178.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.403 ' CG2' ' N ' ' A' ' 66' ' ' ARG . 11.7 tt -65.91 -36.79 78.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 C-N-CA 119.96 -0.696 . . . . 0.0 110.523 -179.144 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.403 ' N ' ' CG2' ' A' ' 65' ' ' ILE . 7.8 ptm180 -78.24 -26.78 47.47 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.921 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -61.25 -49.37 77.38 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.479 -0.488 . . . . 0.0 111.054 -179.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.36 -40.07 92.95 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -178.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 29.4 mt -61.6 -40.73 95.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.162 0.506 . . . . 0.0 110.171 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.32 -38.64 91.94 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.507 -0.769 . . . . 0.0 111.874 -179.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 31.4 m120 -60.1 -44.55 94.74 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.332 -0.547 . . . . 0.0 111.03 -178.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.8 mp -55.76 -46.56 79.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.536 -0.466 . . . . 0.0 111.116 -178.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -63.73 -40.56 97.05 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.193 -0.603 . . . . 0.0 109.919 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -56.83 -39.52 74.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.342 -179.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -92.88 4.03 54.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.325 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 48.85 42.26 29.11 Favored Glycine 0 CA--C 1.526 0.771 0 C-N-CA 121.13 -0.557 . . . . 0.0 112.03 177.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 4.1 m -109.19 16.29 7.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.835 0.318 . . . . 0.0 111.334 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.407 ' C ' ' H ' ' A' ' 80' ' ' ARG . 5.4 p -46.23 162.83 0.04 OUTLIER 'General case' 0 CA--C 1.515 -0.389 0 CA-C-O 121.435 0.636 . . . . 0.0 111.192 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 77.21 -35.17 1.51 Allowed Glycine 0 N--CA 1.448 -0.563 0 CA-C-N 114.925 -1.034 . . . . 0.0 111.165 178.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.534 ' NH2' ' OD1' ' A' ' 51' ' ' ASN . 15.8 mtp180 -98.52 -23.63 15.45 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.224 -179.487 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -122.08 132.04 54.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.644 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.572 ' HG ' ' H ' ' A' ' 83' ' ' ILE . 47.2 t -146.49 163.56 35.32 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.471 -179.519 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.572 ' H ' ' HG ' ' A' ' 82' ' ' SER . 0.0 OUTLIER -128.84 139.84 50.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.193 179.251 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 89.7 t -125.83 129.41 72.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.004 -179.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 11.3 ptpt -94.01 146.07 24.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.132 179.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 135.5 -168.86 23.68 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.511 -1.035 . . . . 0.0 110.511 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -100.06 128.93 46.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.903 0.382 . . . . 0.0 110.613 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -45.16 -26.2 0.44 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.301 -179.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -61.34 -47.95 83.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.309 0.576 . . . . 0.0 110.109 178.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.57 -40.84 98.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.868 -179.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -84.33 151.12 3.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.538 -0.465 . . . . 0.0 111.023 -179.195 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -106.4 135.03 48.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.351 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 45.7 pt -122.77 15.26 5.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.141 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 88.1 p -59.71 -32.47 70.55 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.539 -0.465 . . . . 0.0 110.978 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.534 ' OE2' ' CZ ' ' A' ' 33' ' ' TYR . 2.2 pp20? -74.43 -17.74 60.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.862 0.363 . . . . 0.0 110.853 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.63 136.12 52.49 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.387 -178.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 11.1 t -97.24 -31.33 12.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.456 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 73.8 t -129.76 128.81 65.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.074 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 19.6 m -135.89 151.17 28.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.578 178.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 72.1 p -135.52 161.01 36.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.649 179.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 65.4 mtt -126.54 145.74 50.4 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.003 0.43 . . . . 0.0 110.914 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -135.92 132.86 37.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.391 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.0 mt -56.3 124.94 19.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.92 0.391 . . . . 0.0 111.124 -178.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 88.6 mt -145.34 -74.67 0.23 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.143 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 93.9 m -124.04 130.32 52.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.561 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -71.41 149.58 45.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.585 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 10.6 p -132.47 139.66 49.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.519 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -62.14 -39.72 93.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.97 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -113.27 117.27 31.39 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.923 0.392 . . . . 0.0 110.798 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 72.8 mtm -71.16 -33.82 70.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.244 179.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 89.6 mt 56.33 65.46 1.42 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.179 179.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.599 ' N ' ' CD ' ' A' ' 113' ' ' PRO . 18.1 mttt -85.25 -40.92 0.64 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.263 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 112' ' ' LYS . 52.4 Cg_exo -57.17 -33.3 95.66 Favored 'Trans proline' 0 N--CA 1.499 1.808 0 C-N-CA 122.675 2.25 . . . . 0.0 112.648 -178.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt -61.83 -33.86 74.9 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.89 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 95.8 mt -58.74 -37.35 76.01 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.402 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -63.31 -23.79 67.57 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.004 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -99.86 -40.15 7.84 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.092 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -70.86 -51.51 26.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.796 0.331 . . . . 0.0 110.473 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 86.0 mt -85.24 132.45 34.27 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.28 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -70.23 151.54 95.85 Favored Pre-proline 0 C--N 1.327 -0.411 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -58.18 142.04 96.95 Favored 'Trans proline' 0 C--N 1.31 -1.491 0 C-N-CA 121.299 1.333 . . . . 0.0 111.267 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 99.45 -5.87 58.97 Favored Glycine 0 CA--C 1.521 0.465 0 N-CA-C 110.702 -0.959 . . . . 0.0 110.702 -179.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 5.8 m -72.53 145.9 47.15 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 178.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.406 ' NH2' ' CB ' ' A' ' 25' ' ' LYS . 0.8 OUTLIER -105.85 132.2 52.25 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.027 0.442 . . . . 0.0 110.733 -179.62 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 58.0 t -123.22 128.68 75.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.894 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 57.7 t -119.16 123.35 71.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.774 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 48.8 m -92.62 160.62 14.93 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.56 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . 0.601 ' ND1' ' N ' ' A' ' 129' ' ' GLU . 56.3 t-80 -69.4 -104.49 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.195 -179.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.601 ' N ' ' ND1' ' A' ' 128' ' ' HIS . 88.4 tt0 -102.66 -37.66 7.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.103 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -73.99 144.62 45.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.348 -179.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -90.88 165.02 13.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.541 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 56.0 mt -95.06 113.32 29.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -77.56 149.93 34.81 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.107 -0.637 . . . . 0.0 110.164 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 82.65 -16.21 26.76 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 179.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . 0.46 ' CZ3' ' CE2' ' A' ' 155' ' ' TYR . 7.8 m0 -112.18 155.09 24.52 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.965 0.412 . . . . 0.0 111.258 -179.522 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -105.93 113.62 63.55 Favored Pre-proline 0 CA--C 1.538 0.486 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.333 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.29 151.43 54.4 Favored 'Trans proline' 0 N--CA 1.494 1.545 0 C-N-CA 121.572 1.515 . . . . 0.0 111.891 -179.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -86.49 -50.86 6.56 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.803 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -132.8 124.27 27.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.797 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 60.0 t -128.29 127.7 67.65 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.728 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 30.1 pt -140.26 164.13 22.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 121.3 0.571 . . . . 0.0 111.457 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . 0.422 ' CG ' ' OG1' ' A' ' 151' ' ' THR . 23.0 mtpt -126.01 148.63 49.25 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.962 -1.017 . . . . 0.0 111.084 179.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 62.3 t -127.05 130.66 71.25 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.678 0 CA-C-N 114.805 -1.089 . . . . 0.0 108.868 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -107.26 125.39 51.09 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 179.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.594 ' C ' ' H ' ' A' ' 147' ' ' ASN . 15.8 t0 -113.16 156.26 23.53 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 121.737 0.78 . . . . 0.0 111.297 -178.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -46.94 -1.48 0.01 OUTLIER Glycine 0 CA--C 1.524 0.596 0 CA-C-N 114.122 -1.399 . . . . 0.0 113.665 -178.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . 0.594 ' H ' ' C ' ' A' ' 145' ' ' ASP . 25.2 m120 -137.45 -49.29 0.6 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 117.438 0.619 . . . . 0.0 110.828 178.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 97.6 mtp -144.59 164.95 29.39 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.377 -178.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 49.1 p30 -108.48 160.54 15.82 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.362 0.601 . . . . 0.0 110.956 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 -136.83 141.03 42.85 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.912 -179.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.422 ' OG1' ' CG ' ' A' ' 142' ' ' LYS . 32.6 m -121.44 139.03 54.0 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 179.123 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 47.8 t -133.44 136.02 55.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.923 -179.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -106.74 133.8 50.85 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.776 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 63.1 tp -114.79 130.8 56.92 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.232 -0.894 . . . . 0.0 109.32 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . 0.46 ' CE2' ' CZ3' ' A' ' 135' ' ' TRP . 92.0 t80 -140.15 133.32 29.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.095 0.474 . . . . 0.0 111.704 -179.349 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 98.9 t -102.79 131.15 51.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.215 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' ILE . . . . . 0.441 HG22 HD11 ' A' ' 157' ' ' ILE . 47.3 mm -68.5 132.09 33.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.29 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 140.08 -39.13 1.53 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . 0.455 ' O ' ' OH ' ' A' ' 155' ' ' TYR . 99.2 mt-10 -135.53 118.02 15.83 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 179.165 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . 0.41 ' CG ' ' N ' ' A' ' 161' ' ' LYS . 52.3 p-80 -110.81 -144.36 0.39 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.215 -179.433 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . 0.41 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 30.6 ttpt -35.94 -51.15 0.7 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.079 -178.602 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.948 -1.025 . . . . 0.0 110.563 -179.999 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.407 ' H2 ' ' H ' ' A' ' 2' ' ' SER . 78.5 mtm . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.407 ' H ' ' H2 ' ' A' ' 1' ' ' MET . 66.8 m -127.83 152.26 48.02 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.739 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -107.83 147.91 30.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.359 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.3 m -64.3 148.62 95.73 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.204 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -70.71 154.97 63.66 Favored 'Trans proline' 0 N--CA 1.495 1.575 0 C-N-CA 122.352 2.035 . . . . 0.0 112.442 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -111.66 119.54 39.01 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 179.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.0 p -129.29 84.27 62.88 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.824 -178.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -56.51 150.41 51.73 Favored 'Trans proline' 0 N--CA 1.495 1.568 0 C-N-CA 122.585 2.19 . . . . 0.0 111.211 179.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -53.27 122.55 9.78 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.324 -179.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.474 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 31.1 m -114.18 107.17 52.17 Favored Pre-proline 0 CA--C 1.536 0.404 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.129 -179.315 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.467 ' CB ' ' NH2' ' A' ' 41' ' ' ARG . 61.6 Cg_exo -53.52 144.76 50.18 Favored 'Trans proline' 0 N--CA 1.496 1.641 0 C-N-CA 121.597 1.531 . . . . 0.0 110.878 178.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.1 p -65.66 156.59 82.4 Favored Pre-proline 0 CA--C 1.535 0.384 0 C-N-CA 120.554 -0.459 . . . . 0.0 110.675 -178.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -58.62 150.63 68.42 Favored 'Trans proline' 0 N--CA 1.497 1.708 0 C-N-CA 121.944 1.763 . . . . 0.0 112.46 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 53.3 mp0 -61.06 -17.37 52.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.708 179.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 59.9 mtpt -59.17 -38.14 79.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.465 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 73.9 t -61.52 -44.61 98.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.669 179.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 66.5 t -63.11 -39.73 86.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.787 178.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.535 ' NH2' ' OD2' ' A' ' 49' ' ' ASP . 9.3 mmm180 -60.13 -40.63 90.43 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.686 -179.541 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.7 mmt180 -68.59 -40.14 80.64 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.525 -0.47 . . . . 0.0 112.146 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 76.4 mtm -63.37 -35.87 81.82 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.048 0.451 . . . . 0.0 110.386 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 87.5 mt -68.22 -40.55 82.05 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.683 -0.689 . . . . 0.0 112.099 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -64.24 -44.45 91.77 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -178.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.452 ' C ' ' H ' ' A' ' 25' ' ' LYS . 37.7 pt -71.56 -29.89 36.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.214 -178.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 25' ' ' LYS . . . -82.44 29.25 0.44 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.268 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.452 ' H ' ' C ' ' A' ' 23' ' ' ILE . 45.6 mmtm 32.38 53.36 0.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.856 177.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 93.7 t -85.04 108.45 16.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.201 0.524 . . . . 0.0 111.015 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.4 ' H ' ' HB2' ' A' ' 30' ' ' ASP . 70.6 m -110.8 165.63 11.68 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.494 179.426 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -58.96 -19.34 42.2 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.901 -179.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -96.32 -2.04 46.65 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.181 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.4 ' HB2' ' H ' ' A' ' 27' ' ' SER . 97.2 m-20 -106.23 142.05 36.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.809 0.337 . . . . 0.0 110.691 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.4 pp -92.62 157.95 2.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.531 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 95.6 t -123.17 119.08 56.69 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.14 0 CA-C-O 121.125 0.488 . . . . 0.0 111.264 179.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.539 ' CZ ' ' OE2' ' A' ' 95' ' ' GLU . 2.1 m-30 -116.65 113.94 23.38 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 178.274 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -134.06 148.09 51.0 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.637 -178.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -110.34 6.34 22.28 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.324 179.592 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.46 ' O ' ' O ' ' A' ' 37' ' ' CYS . . . -94.46 11.51 70.1 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.585 ' SG ' ' N ' ' A' ' 40' ' ' GLY . 20.0 t -45.81 -100.74 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.635 0.255 . . . . 0.0 111.001 -179.4 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.542 ' N ' ' SG ' ' A' ' 37' ' ' CYS . . . 74.85 8.06 81.75 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.428 -1.069 . . . . 0.0 110.428 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 177.25 -20.14 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.808 0.337 . . . . 0.0 110.813 -179.602 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.585 ' N ' ' SG ' ' A' ' 37' ' ' CYS . . . 90.59 -6.76 82.08 Favored Glycine 0 C--O 1.217 -0.927 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.467 ' NH2' ' CB ' ' A' ' 11' ' ' PRO . 21.2 ptp180 -59.31 -21.5 59.82 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.998 -179.404 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.443 ' CG2' ' N ' ' A' ' 43' ' ' ILE . 17.3 tt -76.24 -43.1 37.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.443 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 35.9 pt -90.03 -29.59 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -179.388 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.43 ' CD1' ' CG ' ' A' ' 71' ' ' ASN . 74.7 mt -62.31 -41.99 93.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 111.489 0.181 . . . . 0.0 111.489 179.521 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 98.9 m -65.44 -25.0 67.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.194 0.521 . . . . 0.0 109.746 179.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.556 ' O ' ' N ' ' A' ' 50' ' ' PHE . . . -72.05 -67.45 0.54 Allowed 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.891 179.105 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.57 -38.31 80.79 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.604 -179.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -63.35 -45.0 93.23 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.4 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.535 ' OD2' ' NH2' ' A' ' 18' ' ' ARG . 66.8 t0 -108.23 -52.69 2.73 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -178.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.556 ' N ' ' O ' ' A' ' 46' ' ' ALA . 47.7 m-85 -71.13 -7.85 49.46 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -178.506 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 57.9 t30 50.65 33.68 8.58 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.506 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.6 m -44.09 163.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.309 0.576 . . . . 0.0 111.339 -178.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -73.68 -50.44 20.88 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.106 -0.952 . . . . 0.0 108.874 177.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.2 ttpt -148.66 129.67 14.41 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.043 -0.98 . . . . 0.0 109.434 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 80' ' ' ARG . . . -121.56 130.44 53.52 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.998 0.427 . . . . 0.0 110.321 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 64.9 t -134.85 135.13 53.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.09 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -110.22 130.32 9.82 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.48 -1.048 . . . . 0.0 110.48 178.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 84.7 t -101.69 123.18 54.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.117 -0.698 . . . . 0.0 109.117 179.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -170.97 148.32 2.78 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.32 -0.552 . . . . 0.0 110.971 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.449 ' CG2' ' O ' ' A' ' 60' ' ' ILE . 20.5 tt -132.67 114.69 23.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 178.697 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.408 ' OD1' ' CA ' ' A' ' 65' ' ' ILE . 33.0 p30 -151.06 177.51 10.11 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -108.6 -69.85 0.83 Allowed 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.846 -0.342 . . . . 0.0 111.458 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.438 ' O ' ' OE1' ' A' ' 67' ' ' GLU . 61.4 mp0 -68.96 -39.09 79.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.69 -179.062 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -76.52 -7.63 55.54 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.579 -178.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.476 ' CG2' ' N ' ' A' ' 66' ' ' ARG . 3.1 tp -59.95 -39.99 81.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.516 -179.254 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.476 ' N ' ' CG2' ' A' ' 65' ' ' ILE . 8.3 ptp180 -78.75 -25.23 44.49 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.503 -179.162 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.438 ' OE1' ' O ' ' A' ' 63' ' ' GLU . 4.6 mp0 -62.71 -55.12 29.6 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.32 -0.552 . . . . 0.0 110.834 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.18 -42.11 94.31 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -178.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 25.7 mt -62.42 -42.08 99.18 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.321 -0.552 . . . . 0.0 109.792 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.18 -38.95 93.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.896 -179.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.531 ' ND2' ' OD1' ' A' ' 75' ' ' ASN . 0.5 OUTLIER -59.72 -45.08 93.27 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.349 -0.54 . . . . 0.0 110.388 -178.482 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 27.6 mt -54.96 -46.91 76.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.319 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -64.51 -41.17 96.58 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 119.899 -0.72 . . . . 0.0 109.704 178.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -57.24 -39.87 76.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.243 -179.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.531 ' OD1' ' ND2' ' A' ' 71' ' ' ASN . 35.1 m120 -92.38 3.16 55.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.477 -179.499 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 49.23 43.83 33.91 Favored Glycine 0 CA--C 1.526 0.755 0 C-N-CA 121.003 -0.618 . . . . 0.0 112.209 177.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 4.5 m -107.5 13.2 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.933 0.367 . . . . 0.0 111.247 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -54.05 125.96 20.84 Favored 'General case' 0 CA--C 1.522 -0.102 0 C-N-CA 120.424 -0.511 . . . . 0.0 110.439 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 112.17 -10.44 26.82 Favored Glycine 0 CA--C 1.517 0.162 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 -179.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 55' ' ' ALA . 88.0 mtt180 -126.45 -25.79 3.4 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 108.984 -0.746 . . . . 0.0 108.984 178.667 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -126.87 135.71 51.34 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.752 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 96.4 p -150.86 168.46 24.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.149 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -130.08 139.25 51.94 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.139 0 CA-C-O 120.901 0.381 . . . . 0.0 110.929 179.689 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 82.5 t -123.81 128.16 74.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.253 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -100.19 154.66 18.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.362 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 134.52 -164.4 24.62 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.713 -0.955 . . . . 0.0 110.713 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -98.67 128.69 45.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.858 0.361 . . . . 0.0 110.572 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -48.14 -30.97 5.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.094 -179.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -64.08 -46.52 83.95 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.122 0.487 . . . . 0.0 110.334 178.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -61.72 -41.82 98.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.388 -0.823 . . . . 0.0 111.852 -178.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.1 p -87.49 160.35 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 120.524 -0.471 . . . . 0.0 110.592 -179.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' A' ' 92' ' ' ASP . 54.0 p-10 -119.72 139.69 51.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.963 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 46.3 pt -118.77 16.13 6.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.978 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 88.7 p -59.8 -28.57 67.55 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.551 -0.46 . . . . 0.0 110.837 -179.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.539 ' OE2' ' CZ ' ' A' ' 33' ' ' TYR . 2.6 pp20? -71.97 -19.5 61.88 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.055 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.98 136.47 50.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 112.084 -179.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 12.4 t -98.77 -25.79 14.54 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 55.6 t -129.37 129.5 67.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.536 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 98.5 t -141.55 154.07 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.112 0.482 . . . . 0.0 111.952 -179.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 8.5 t -132.2 152.28 51.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.745 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 66.4 ttp -121.59 131.9 54.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.075 -179.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -109.07 151.27 26.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.648 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.8 pp -41.86 131.64 3.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.8 mp -112.64 152.63 28.73 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.151 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 69.3 p -65.43 -30.33 71.11 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.512 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 57.2 p30 -156.19 166.3 33.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.597 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.413 ' CG2' ' H ' ' A' ' 109' ' ' GLU . 12.2 p -158.96 138.89 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.655 179.716 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.514 ' C ' ' H ' ' A' ' 110' ' ' MET . 98.5 m-20 -100.06 7.04 44.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.158 179.502 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.413 ' H ' ' CG2' ' A' ' 107' ' ' VAL . 77.1 mm-40 58.05 2.06 0.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.922 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.514 ' H ' ' C ' ' A' ' 108' ' ' ASN . 22.7 mmt -86.9 -12.63 47.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.798 0.332 . . . . 0.0 110.659 179.505 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 94.0 mt -84.15 -19.76 33.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.706 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -61.78 -56.25 34.21 Favored Pre-proline 0 CA--C 1.534 0.338 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.267 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -66.79 -20.89 51.79 Favored 'Trans proline' 0 N--CA 1.495 1.559 0 C-N-CA 121.853 1.702 . . . . 0.0 112.088 179.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 20.8 ttmm -61.75 -37.95 86.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.691 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 97.7 mt -60.61 -29.16 69.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.16 -179.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.516 ' OE2' ' NE2' ' A' ' 160' ' ' HIS . 91.7 mt-10 -63.2 -23.82 67.6 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 121.072 -0.251 . . . . 0.0 110.605 -179.446 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -98.28 -39.22 8.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.269 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -74.08 -53.36 10.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.295 -178.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 85.0 mt -83.78 137.04 33.92 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.254 -0.43 . . . . 0.0 109.919 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 10.3 ptpp? -76.09 156.76 83.87 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.997 -179.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -58.81 137.83 82.24 Favored 'Trans proline' 0 N--CA 1.495 1.561 0 C-N-CA 121.454 1.436 . . . . 0.0 111.703 178.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 96.33 1.35 60.86 Favored Glycine 0 CA--C 1.521 0.439 0 N-CA-C 111.397 -0.681 . . . . 0.0 111.397 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 1.3 m -76.79 149.39 36.26 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 5.4 mmt-85 -98.87 126.41 44.53 Favored 'General case' 0 C--O 1.231 0.131 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.481 -178.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 64.4 t -122.39 128.18 75.35 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.124 178.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 79.9 t -123.2 125.86 72.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -178.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.443 ' OG ' ' O ' ' A' ' 130' ' ' PHE . 47.6 t -99.93 139.55 35.43 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 178.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -49.28 -97.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.668 -178.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -113.29 -20.08 11.52 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.666 0.269 . . . . 0.0 111.122 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.443 ' O ' ' OG ' ' A' ' 127' ' ' SER . 96.6 m-85 -85.02 131.66 34.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.922 0.391 . . . . 0.0 110.808 -179.187 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -81.54 157.06 24.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.303 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.407 ' CD1' ' CE1' ' A' ' 155' ' ' TYR . 78.1 mt -92.17 120.43 41.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 62.5 ttm-85 -76.61 138.98 40.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.13 179.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 90.21 -21.45 31.35 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 179.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 10.9 m0 -103.17 146.76 27.92 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.997 0.427 . . . . 0.0 111.295 -179.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -101.08 113.42 65.81 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.508 179.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.02 148.63 57.33 Favored 'Trans proline' 0 N--CA 1.492 1.44 0 C-N-CA 121.333 1.356 . . . . 0.0 112.309 -178.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -85.71 -49.54 7.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.632 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -129.73 123.99 32.4 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.361 -179.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 63.2 t -127.21 123.35 61.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.091 179.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 23.5 pt -141.18 164.32 20.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.066 0.46 . . . . 0.0 111.259 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt -120.44 151.47 39.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.362 -0.836 . . . . 0.0 111.993 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 58.6 t -124.89 129.57 73.46 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.186 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . 0.411 ' N ' ' OE1' ' A' ' 144' ' ' GLU . 42.3 mp0 -112.65 118.89 36.29 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -138.19 98.8 3.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.759 0.314 . . . . 0.0 110.626 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 96.85 -120.13 6.59 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -115.4 17.04 16.64 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.738 0.304 . . . . 0.0 110.474 179.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 64.1 mtt -140.97 158.48 43.88 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.475 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 27.0 p30 -127.0 164.4 21.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.173 0.511 . . . . 0.0 110.826 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -137.38 148.15 46.01 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.937 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 36.2 m -122.04 139.98 53.05 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 66.3 t -126.85 132.19 70.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.652 -179.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -109.74 129.25 55.64 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.367 179.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 42.0 tp -114.22 123.58 49.92 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.807 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . 0.407 ' CE1' ' CD1' ' A' ' 132' ' ' ILE . 89.7 m-85 -116.17 166.53 11.92 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 65.6 t -133.06 126.24 53.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.494 178.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' ILE . . . . . . . . . . . . . 42.6 mm -67.52 131.92 32.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.528 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 120.49 -39.36 2.45 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . 0.512 ' C ' ' HD1' ' A' ' 160' ' ' HIS . 88.5 tt0 -139.62 130.75 26.5 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 179.676 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . 0.628 ' CD2' ' H ' ' A' ' 161' ' ' LYS . 3.8 p-80 -171.4 -75.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.217 -179.585 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . 0.628 ' H ' ' CD2' ' A' ' 160' ' ' HIS . 98.2 mttt -10.08 -84.75 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.356 0 O-C-N 124.32 1.013 . . . . 0.0 112.548 -178.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.586 -179.997 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.3 mtm . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.2 t -133.3 121.38 22.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.693 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -118.78 -27.04 5.92 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.435 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.402 ' O ' ' CG2' ' A' ' 4' ' ' VAL . 33.2 m -130.82 66.13 78.13 Favored Pre-proline 0 C--N 1.332 -0.181 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.431 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -68.18 -24.18 38.51 Favored 'Trans proline' 0 N--CA 1.494 1.505 0 C-N-CA 122.25 1.967 . . . . 0.0 112.423 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -68.48 123.44 20.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.628 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 28.6 m -135.56 150.38 71.96 Favored Pre-proline 0 CA--C 1.535 0.373 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.129 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -69.71 153.57 69.0 Favored 'Trans proline' 0 N--CA 1.497 1.692 0 C-N-CA 122.112 1.875 . . . . 0.0 111.652 179.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -73.2 117.27 14.74 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.985 -179.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.465 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 31.4 m -109.16 108.31 60.31 Favored Pre-proline 0 CA--C 1.538 0.517 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.977 -179.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_exo -53.41 144.22 51.29 Favored 'Trans proline' 0 N--CA 1.497 1.69 0 C-N-CA 121.763 1.642 . . . . 0.0 111.757 179.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 68.5 p -68.78 157.35 88.95 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.431 -179.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -58.35 150.21 68.84 Favored 'Trans proline' 0 N--CA 1.498 1.739 0 C-N-CA 121.79 1.66 . . . . 0.0 111.945 179.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -60.68 -19.34 58.23 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -54.59 -28.4 46.0 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.102 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.66 -45.44 97.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.818 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -68.97 -30.09 45.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.512 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.519 ' NH2' ' OD2' ' A' ' 49' ' ' ASP . 8.0 mmm180 -61.18 -42.66 98.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.747 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 -68.36 -38.29 81.28 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.661 -0.415 . . . . 0.0 111.313 179.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 64.6 mtt -62.66 -36.99 84.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.257 0.551 . . . . 0.0 110.593 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 86.7 mt -70.95 -40.6 71.91 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.653 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -65.74 -45.23 83.38 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -178.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 39.0 pt -66.97 -35.98 76.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.898 -178.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.54 -9.71 37.69 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.232 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.1 tptt 70.55 45.2 0.62 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.281 0.562 . . . . 0.0 110.462 179.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 86.8 t -80.59 112.51 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.504 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.403 ' H ' ' HB2' ' A' ' 30' ' ' ASP . 74.3 m -114.42 165.75 12.4 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.798 179.63 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -58.04 -21.23 44.41 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.412 -178.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 59.1 p30 -98.83 7.24 46.26 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.606 -0.437 . . . . 0.0 111.157 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.403 ' HB2' ' H ' ' A' ' 27' ' ' SER . 97.1 m-20 -112.05 138.38 48.79 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.4 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.3 pp -91.02 153.2 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.904 0.383 . . . . 0.0 110.646 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 95.1 t -120.37 118.3 56.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.252 179.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.445 ' OH ' ' OE2' ' A' ' 95' ' ' GLU . 2.4 m-30 -117.06 100.27 7.63 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.54 179.394 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -98.58 125.44 43.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.149 0.5 . . . . 0.0 110.097 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.458 ' O ' ' O ' ' A' ' 58' ' ' VAL . 91.6 mt -63.63 -35.37 80.29 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -177.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -137.22 91.18 0.21 Allowed Glycine 0 CA--C 1.53 0.993 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.508 -178.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.488 ' SG ' ' N ' ' A' ' 38' ' ' GLY . 18.2 p -73.01 -58.09 3.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 117.113 0.456 . . . . 0.0 110.973 179.14 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.488 ' N ' ' SG ' ' A' ' 37' ' ' CYS . . . 79.4 4.36 89.06 Favored Glycine 0 CA--C 1.528 0.903 0 C-N-CA 120.972 -0.633 . . . . 0.0 111.937 179.138 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.8 p30 175.44 -13.59 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.757 0.313 . . . . 0.0 111.336 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.05 -4.14 86.51 Favored Glycine 0 C--O 1.217 -0.952 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -58.83 -37.53 76.63 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.322 0.582 . . . . 0.0 110.092 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 18.1 tt -59.87 -42.37 88.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.532 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 35.8 pt -90.82 -31.61 5.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -179.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 68.0 mt -62.06 -41.74 92.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 111.692 0.256 . . . . 0.0 111.692 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 92.3 m -65.39 -25.13 67.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.378 0.609 . . . . 0.0 109.628 179.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.55 ' O ' ' N ' ' A' ' 50' ' ' PHE . . . -71.92 -67.84 0.5 Allowed 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.938 179.241 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.17 -37.99 78.68 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.615 -178.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.89 -46.61 87.01 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.701 -0.4 . . . . 0.0 111.38 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.519 ' OD2' ' NH2' ' A' ' 18' ' ' ARG . 66.5 t0 -107.75 -50.65 3.03 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 -178.279 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.55 ' N ' ' O ' ' A' ' 46' ' ' ALA . 47.5 m-85 -72.87 -7.68 52.01 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.791 -178.507 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 58.9 t30 50.27 34.2 8.48 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 178.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.6 m -45.06 164.09 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 CA-C-O 121.219 0.533 . . . . 0.0 111.044 -179.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -74.21 -51.03 16.66 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.188 178.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -146.04 129.79 17.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.189 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 80' ' ' ARG . . . -121.76 127.51 50.74 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.024 0.44 . . . . 0.0 110.469 -179.704 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.3 t -136.01 137.55 48.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.086 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -119.58 134.9 10.88 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 109.929 -1.268 . . . . 0.0 109.929 178.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.458 ' O ' ' O ' ' A' ' 35' ' ' LEU . 58.8 t -98.97 124.29 52.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 C-N-CA 120.553 -0.459 . . . . 0.0 109.971 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -167.18 142.79 4.15 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.341 -0.543 . . . . 0.0 110.941 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.47 ' CG2' ' O ' ' A' ' 60' ' ' ILE . 17.8 tt -134.27 112.37 15.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 178.375 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -151.26 -171.37 3.92 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -115.39 -67.75 0.97 Allowed 'General case' 0 C--N 1.328 -0.346 0 O-C-N 123.282 0.364 . . . . 0.0 110.979 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -71.07 -39.15 72.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.784 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 85.7 mtp180 -84.83 -6.84 59.35 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.236 -179.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -70.2 -37.86 72.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.295 -179.527 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -81.0 -27.34 35.9 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.915 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -62.0 -46.82 87.55 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.01 -179.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.43 -40.56 94.9 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 -179.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 23.3 mt -61.93 -41.28 97.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.129 0.49 . . . . 0.0 110.002 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.39 -39.15 93.72 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.107 -179.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -60.31 -42.69 96.09 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.476 -0.49 . . . . 0.0 111.344 -178.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 76.1 mt -57.52 -46.17 86.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 C-N-CA 120.461 -0.496 . . . . 0.0 111.198 -178.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.99 -40.92 99.21 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.043 -0.663 . . . . 0.0 109.622 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -56.89 -39.78 75.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.314 -179.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -92.11 2.86 56.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.268 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 49.39 42.56 33.99 Favored Glycine 0 CA--C 1.524 0.641 0 C-N-CA 120.978 -0.63 . . . . 0.0 111.915 178.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 5.3 m -110.56 16.68 7.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.832 0.316 . . . . 0.0 111.414 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.2 p -46.59 163.07 0.04 OUTLIER 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 120.326 -0.55 . . . . 0.0 110.755 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 78.39 -35.19 1.77 Allowed Glycine 0 CA--C 1.522 0.516 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.188 178.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 55' ' ' ALA . 65.1 mtt180 -99.09 -24.25 14.96 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 120.478 -0.489 . . . . 0.0 109.996 -179.638 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -121.56 132.19 54.55 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.389 -179.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 89.7 p -147.91 165.79 29.6 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.293 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -129.91 140.1 49.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.074 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 90.1 t -125.07 128.26 72.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.843 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 11.9 ptpt -96.23 150.98 19.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.183 179.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 133.28 -165.13 24.15 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.482 -1.047 . . . . 0.0 110.482 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -99.42 126.5 45.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.038 0.446 . . . . 0.0 110.683 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 55.4 p90 -49.43 -30.73 8.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.547 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 93.5 t80 -61.98 -47.72 83.55 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.214 0.531 . . . . 0.0 110.039 178.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.16 -40.19 96.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.812 -179.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -82.82 153.43 3.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.661 -179.4 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -105.08 131.84 52.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.591 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 43.5 pt -123.47 13.48 5.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.986 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.462 ' CB ' ' O ' ' A' ' 118' ' ' GLU . 96.5 p -58.99 -27.92 65.86 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.629 -0.429 . . . . 0.0 110.501 -179.242 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.445 ' OE2' ' OH ' ' A' ' 33' ' ' TYR . 23.3 pt-20 -70.18 -16.46 63.08 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.186 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.42 128.84 37.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.909 -178.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.4 t -94.14 -30.7 14.5 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 178.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 76.5 t -129.26 129.38 67.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.101 179.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 97.4 t -138.58 150.38 24.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.205 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 68.0 p -121.03 157.74 29.34 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.504 179.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 60.4 ttm -139.15 140.98 38.04 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 120.964 0.412 . . . . 0.0 111.006 -179.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.433 ' CD1' ' N ' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -142.16 166.79 23.73 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.652 -179.692 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.649 ' N ' ' HD1' ' A' ' 128' ' ' HIS . 83.9 mt -56.45 118.74 5.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.828 0.347 . . . . 0.0 110.239 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 94.8 mt -137.21 144.93 43.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.73 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 82.6 p -103.37 -11.09 18.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.958 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -61.77 -40.18 94.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.693 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 66.3 t -104.9 119.85 54.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.648 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -110.41 -31.38 7.3 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.556 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.491 ' O ' ' CG ' ' A' ' 110' ' ' MET . 99.2 mt-10 -141.73 158.44 43.8 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 -179.689 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.491 ' CG ' ' O ' ' A' ' 109' ' ' GLU . 0.6 OUTLIER 154.12 -1.91 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.552 0 O-C-N 124.289 0.993 . . . . 0.0 111.433 179.407 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 37.6 mt 61.83 119.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.692 0.282 . . . . 0.0 110.889 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.49 ' N ' ' CD ' ' A' ' 113' ' ' PRO . 50.4 mttt -60.57 -43.25 91.97 Favored Pre-proline 0 CA--C 1.533 0.305 0 N-CA-C 112.146 0.425 . . . . 0.0 112.146 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.49 ' CD ' ' N ' ' A' ' 112' ' ' LYS . 73.1 Cg_exo -48.99 -10.73 0.13 Allowed 'Trans proline' 0 N--CA 1.495 1.582 0 C-N-CA 122.209 1.939 . . . . 0.0 112.265 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.463 ' H ' ' C ' ' A' ' 112' ' ' LYS . 16.9 ttmm -60.69 -37.04 80.32 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.48 179.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 96.1 mt -59.75 -35.19 74.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.543 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.532 ' OE2' ' CG ' ' A' ' 160' ' ' HIS . 97.6 mt-10 -60.59 -23.97 65.1 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.248 -179.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -97.84 -41.07 8.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.148 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.462 ' O ' ' CB ' ' A' ' 94' ' ' SER . 79.6 mm-40 -72.07 -50.68 26.3 Favored 'General case' 0 C--N 1.333 -0.12 0 C-N-CA 120.611 -0.435 . . . . 0.0 111.098 -179.368 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 5.9 mp -83.82 133.19 34.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.885 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -73.96 150.5 88.16 Favored Pre-proline 0 C--N 1.326 -0.422 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.558 -179.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -52.65 137.97 58.75 Favored 'Trans proline' 0 N--CA 1.495 1.597 0 C-N-CA 121.394 1.396 . . . . 0.0 111.911 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 101.13 -2.51 54.9 Favored Glycine 0 CA--C 1.521 0.42 0 N-CA-C 111.329 -0.709 . . . . 0.0 111.329 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 4.4 m -73.35 146.95 44.82 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 178.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -99.39 127.37 45.42 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 -179.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 62.7 t -123.93 128.53 74.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.799 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 84.4 t -117.33 120.21 64.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.215 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 48.5 t -99.15 148.77 23.74 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.84 0.352 . . . . 0.0 110.638 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . 0.649 ' HD1' ' N ' ' A' ' 103' ' ' LEU . 0.1 OUTLIER -53.95 -104.73 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.398 -179.221 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -112.99 -16.98 12.56 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.706 -179.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.437 ' H ' ' CD2' ' A' ' 128' ' ' HIS . 75.9 m-85 -84.38 124.78 31.67 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.145 0.498 . . . . 0.0 111.266 -179.192 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -74.27 140.6 45.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.045 179.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 74.0 mt -76.55 116.13 19.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 C-N-CA 120.495 -0.482 . . . . 0.0 109.753 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -77.46 139.2 39.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.32 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 92.92 -24.72 23.09 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 179.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . 0.576 ' CZ3' ' CE2' ' A' ' 155' ' ' TYR . 28.2 m0 -97.31 -176.93 3.66 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.774 0.321 . . . . 0.0 110.349 -179.703 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . 0.498 ' ND2' ' O ' ' A' ' 162' ' ' ALA . 47.0 t30 -132.51 110.09 13.57 Favored Pre-proline 0 CA--C 1.535 0.4 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.838 178.74 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 146.63 60.68 Favored 'Trans proline' 0 N--CA 1.494 1.511 0 C-N-CA 121.177 1.252 . . . . 0.0 112.165 -179.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -84.34 -49.44 8.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.157 179.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -141.28 128.88 21.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.542 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 14.1 p -139.68 131.79 34.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 21.7 pt -140.41 170.21 14.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.02 -179.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 35.7 mtpt -118.95 154.09 33.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.42 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 58.3 t -128.76 129.67 68.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.21 -0.905 . . . . 0.0 108.906 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -117.44 126.03 51.94 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 123.166 0.291 . . . . 0.0 110.441 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -133.88 104.55 6.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.125 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 83.88 -102.48 2.48 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.562 -1.015 . . . . 0.0 110.562 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -129.76 17.71 5.73 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.834 0.35 . . . . 0.0 110.118 179.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 79.6 mtm -117.44 175.6 5.55 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.953 -179.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 40.3 p30 -154.58 149.56 26.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.022 178.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -136.95 144.98 43.69 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.067 -0.97 . . . . 0.0 109.918 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.417 ' O ' ' O ' ' A' ' 128' ' ' HIS . 28.3 m -124.75 141.87 51.81 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 9.2 p -135.55 139.16 47.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.001 0.429 . . . . 0.0 110.911 -179.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -112.49 133.21 54.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.783 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 62.5 tp -109.05 128.4 54.94 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 178.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . 0.576 ' CE2' ' CZ3' ' A' ' 135' ' ' TRP . 75.3 t80 -136.37 130.14 32.36 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.997 0.427 . . . . 0.0 111.209 -178.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 66.4 t -98.53 131.02 46.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.689 -179.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' ILE . . . . . 0.413 HG21 HD12 ' A' ' 157' ' ' ILE . 48.3 mm -70.35 131.27 34.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.529 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 139.92 -31.08 2.32 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . 0.448 ' O ' ' OH ' ' A' ' 155' ' ' TYR . 47.0 mp0 -135.89 105.41 6.09 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 179.463 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . 0.56 ' ND1' ' O ' ' A' ' 160' ' ' HIS . 26.1 p80 -118.24 99.42 6.85 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.046 -179.62 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 17.6 mtpt 166.23 -71.44 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.593 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . 0.498 ' O ' ' ND2' ' A' ' 136' ' ' ASN . . . . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 117.929 -1.034 . . . . 0.0 110.456 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.7 mtt . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.3 p -153.93 161.21 42.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.432 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.407 ' CE2' ' O ' ' A' ' 5' ' ' PRO . 41.9 t80 -133.93 89.26 2.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.166 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.605 ' N ' ' CD ' ' A' ' 5' ' ' PRO . 2.0 t -68.2 -37.79 11.89 Favored Pre-proline 0 CA--C 1.532 0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.444 -179.574 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 4' ' ' VAL . 34.7 Cg_exo -60.08 150.02 81.31 Favored 'Trans proline' 0 N--CA 1.498 1.748 0 C-N-CA 122.435 2.09 . . . . 0.0 112.206 -179.295 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -79.49 151.33 30.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.032 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.406 ' O ' ' CG2' ' A' ' 7' ' ' VAL . 7.7 p -130.15 64.1 71.32 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.084 -179.486 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -73.36 153.3 50.43 Favored 'Trans proline' 0 C--N 1.306 -1.674 0 C-N-CA 122.689 2.259 . . . . 0.0 111.947 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -62.03 131.36 49.35 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 58.4 t -115.41 107.88 48.48 Favored Pre-proline 0 CA--C 1.538 0.495 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.167 -179.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -74.45 150.86 41.67 Favored 'Trans proline' 0 N--CA 1.493 1.445 0 C-N-CA 121.464 1.443 . . . . 0.0 111.519 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 71.4 p -71.4 157.28 90.33 Favored Pre-proline 0 C--N 1.327 -0.398 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.324 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -55.13 147.63 53.15 Favored 'Trans proline' 0 N--CA 1.498 1.766 0 C-N-CA 121.714 1.609 . . . . 0.0 112.227 179.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -57.21 -32.32 66.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.396 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.5 tptt -53.01 -34.01 54.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.181 -179.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.3 t -61.59 -45.76 97.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.14 179.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 54.2 t -62.41 -39.79 85.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 121.007 0.432 . . . . 0.0 109.954 179.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.542 ' NH2' ' OD2' ' A' ' 49' ' ' ASP . 13.6 mmt180 -59.48 -42.04 91.16 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.318 -179.52 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.1 mmt-85 -68.43 -37.95 80.75 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.547 -0.461 . . . . 0.0 111.358 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 62.8 mtt -62.68 -36.77 83.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.208 0.527 . . . . 0.0 110.691 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 92.7 mt -70.28 -40.39 74.34 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.432 -0.803 . . . . 0.0 111.596 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -64.82 -45.88 84.31 Favored 'General case' 0 CA--C 1.519 -0.239 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -178.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 39.5 pt -67.5 -36.58 76.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.318 -178.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.84 -13.49 61.65 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.137 0.494 . . . . 0.0 110.105 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 68.56 46.49 0.99 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.573 0.701 . . . . 0.0 110.533 179.724 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 84.5 t -76.2 112.52 14.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.315 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 90.7 p -111.52 165.49 11.95 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.476 179.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.2 pt20 -58.35 -17.8 22.73 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.85 -179.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -97.34 -2.23 42.88 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 120.651 -0.42 . . . . 0.0 111.429 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -106.04 140.68 38.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.858 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.3 pp -91.65 155.65 3.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.336 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 99.2 t -121.14 119.79 60.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.001 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.447 ' OH ' ' OE2' ' A' ' 95' ' ' GLU . 1.9 m-30 -117.32 112.04 20.2 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.449 -0.796 . . . . 0.0 108.946 178.402 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -128.41 143.6 51.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.711 -179.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -110.67 4.83 20.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.985 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.437 ' O ' ' O ' ' A' ' 37' ' ' CYS . . . -99.47 9.48 60.79 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.387 -0.685 . . . . 0.0 111.387 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.437 ' O ' ' O ' ' A' ' 36' ' ' GLY . 0.6 OUTLIER -46.13 -97.39 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.608 -179.581 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.55 12.37 80.35 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.167 -1.173 . . . . 0.0 110.167 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.542 ' OD1' ' ND2' ' A' ' 71' ' ' ASN . 31.9 t70 -175.79 -25.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.98 0.419 . . . . 0.0 110.056 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.09 -5.2 83.18 Favored Glycine 0 C--O 1.217 -0.933 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 179.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -58.17 -38.19 76.19 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 120.489 -0.485 . . . . 0.0 110.355 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.458 ' CG2' ' N ' ' A' ' 43' ' ' ILE . 18.5 tt -60.26 -44.54 95.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.399 -179.147 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.458 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 39.4 pt -87.82 -31.41 5.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -179.116 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 67.9 mt -61.64 -41.15 89.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 99.8 m -64.47 -28.73 69.86 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.305 0.574 . . . . 0.0 109.716 179.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.551 ' O ' ' N ' ' A' ' 50' ' ' PHE . . . -68.93 -68.93 0.36 Allowed 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.029 179.377 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.54 -37.68 76.19 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.526 -178.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp -62.06 -46.61 88.37 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.646 -0.422 . . . . 0.0 111.472 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.542 ' OD2' ' NH2' ' A' ' 18' ' ' ARG . 49.4 t0 -109.47 -50.3 3.01 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 -178.593 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.551 ' N ' ' O ' ' A' ' 46' ' ' ALA . 43.4 m-85 -69.25 -10.13 56.33 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 120.419 -0.512 . . . . 0.0 111.474 -178.717 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 57.5 t30 52.47 33.43 13.2 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.293 179.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 10.8 m -44.73 163.26 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 CA-C-O 121.184 0.516 . . . . 0.0 110.947 -178.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.8 ttmt -74.27 -49.51 22.83 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.399 -0.819 . . . . 0.0 108.818 177.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.69 130.99 16.53 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.74 179.612 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -123.16 126.42 46.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.967 0.413 . . . . 0.0 109.955 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.6 t -132.43 135.17 58.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.394 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -108.8 129.93 9.78 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 109.792 -1.323 . . . . 0.0 109.792 178.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 84.8 t -104.14 121.74 56.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.06 0.457 . . . . 0.0 109.963 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -174.56 150.74 1.41 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.82 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.426 ' O ' ' CG2' ' A' ' 60' ' ' ILE . 20.4 tt -133.8 118.99 31.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 178.482 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -150.72 -174.41 4.77 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -113.41 -68.35 0.93 Allowed 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.085 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -70.6 -38.92 74.05 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.851 0.357 . . . . 0.0 111.674 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -81.72 -7.34 59.59 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.755 -178.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.419 ' CG2' ' N ' ' A' ' 66' ' ' ARG . 13.1 tt -66.29 -36.88 78.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 120.064 -0.655 . . . . 0.0 111.0 -178.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.419 ' N ' ' CG2' ' A' ' 65' ' ' ILE . 8.1 ptm180 -82.92 -28.96 29.55 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.412 -179.173 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.08 -48.06 83.44 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.358 -0.537 . . . . 0.0 110.992 -179.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.26 -41.41 96.87 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 111.887 0.328 . . . . 0.0 111.887 -178.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 23.5 mt -60.64 -40.66 92.79 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.364 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.64 -38.66 91.14 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.662 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.542 ' ND2' ' OD1' ' A' ' 39' ' ' ASP . 89.0 m-20 -60.41 -44.07 96.1 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.455 -0.498 . . . . 0.0 111.269 -178.639 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.9 mp -54.79 -47.08 74.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.83 -178.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -64.42 -39.9 94.72 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.293 -0.563 . . . . 0.0 110.17 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -57.26 -40.99 78.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.515 -179.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -90.95 1.57 56.93 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.072 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 50.92 42.77 47.86 Favored Glycine 0 CA--C 1.527 0.794 0 C-N-CA 121.084 -0.579 . . . . 0.0 112.178 177.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.5 m -108.04 16.73 7.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 117.009 0.404 . . . . 0.0 111.267 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.0 p -48.04 159.97 0.16 Allowed 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 121.404 0.621 . . . . 0.0 111.324 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 80.51 -31.37 2.42 Favored Glycine 0 N--CA 1.446 -0.7 0 CA-C-N 114.841 -1.072 . . . . 0.0 111.001 179.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 40.5 mtt85 -103.88 -24.47 13.28 Favored 'General case' 0 CA--C 1.521 -0.163 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.306 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -123.24 135.45 54.27 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.569 -179.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 96.0 p -152.12 168.93 23.71 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.369 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -129.93 139.89 50.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.074 179.418 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 86.7 t -124.3 127.58 73.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.4 ptmm? -96.99 155.4 16.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.155 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 141.91 -162.71 27.07 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -105.6 139.43 40.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.171 0.51 . . . . 0.0 111.111 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -56.96 -45.89 82.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.873 -179.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 92.9 t80 -59.7 -47.59 85.02 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.211 0.529 . . . . 0.0 109.995 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -63.12 -40.78 98.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.08 -179.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -83.13 152.94 3.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.988 0.423 . . . . 0.0 111.288 -178.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -116.42 135.27 53.99 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.837 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 41.3 pt -116.92 19.7 6.89 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.186 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.949 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.432 ' OG ' ' O ' ' A' ' 118' ' ' GLU . 48.1 t -57.26 -36.71 71.33 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 121.057 -0.257 . . . . 0.0 111.182 -179.138 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.447 ' OE2' ' OH ' ' A' ' 33' ' ' TYR . 20.8 pt-20 -65.19 -18.78 65.59 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.752 0.31 . . . . 0.0 111.716 -179.529 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.23 132.85 48.59 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.904 -179.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 8.4 t -99.45 -24.89 14.64 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 178.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 90.2 t -133.29 131.67 58.07 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.333 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 29.3 m -140.49 156.03 23.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.632 178.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 84.8 m -148.72 145.97 27.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.609 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 24.8 mmt -110.37 138.49 46.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.525 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.513 ' CE2' ' O ' ' A' ' 103' ' ' LEU . 87.9 t80 -137.5 136.71 37.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.212 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.513 ' O ' ' CE2' ' A' ' 102' ' ' PHE . 96.1 mt -62.88 139.53 58.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.979 0.419 . . . . 0.0 110.829 -179.394 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 59.8 tp -171.42 -59.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.961 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 73.3 p -80.5 167.63 19.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.583 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -63.79 145.76 55.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.473 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 10.7 p -44.98 131.54 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.787 -179.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -160.51 168.53 24.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.117 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -66.82 134.95 53.15 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.376 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 59.4 mtt -150.31 -49.09 0.13 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.043 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 7.8 mp -65.67 103.99 0.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.589 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -137.0 150.05 68.37 Favored Pre-proline 0 CA--C 1.535 0.379 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.642 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.52 -7.71 21.78 Favored 'Trans proline' 0 N--CA 1.495 1.598 0 C-N-CA 122.542 2.161 . . . . 0.0 111.414 179.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -57.3 -25.52 59.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.88 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 88.8 mt -59.03 -28.63 66.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.968 0.413 . . . . 0.0 110.005 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.52 ' OE2' ' CE1' ' A' ' 160' ' ' HIS . 99.1 mt-10 -64.35 -23.47 67.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.076 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -101.61 -29.16 12.1 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.8 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.432 ' O ' ' OG ' ' A' ' 94' ' ' SER . 9.7 mm-40 -80.48 -55.7 4.69 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.689 -0.404 . . . . 0.0 111.057 -179.534 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -75.59 145.9 40.81 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -80.96 149.54 67.06 Favored Pre-proline 0 C--N 1.328 -0.358 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 178.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_exo -53.34 136.84 63.88 Favored 'Trans proline' 0 N--CA 1.496 1.635 0 C-N-CA 121.307 1.338 . . . . 0.0 112.111 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 95.63 5.31 60.18 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 1.2 m -78.73 146.85 33.66 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 178.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -100.46 131.11 46.56 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.099 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 58.1 t -123.94 130.03 74.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 59.5 t -119.5 124.32 72.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 CA-C-O 120.765 0.316 . . . . 0.0 111.303 -179.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 70.1 m -99.13 153.28 19.03 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.914 0.388 . . . . 0.0 110.593 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . 0.53 ' N ' ' CD2' ' A' ' 128' ' ' HIS . 0.1 OUTLIER -59.71 -102.41 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.12 -179.242 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -111.25 -18.06 13.03 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.784 0.326 . . . . 0.0 110.991 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -91.02 126.84 36.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.807 -179.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -77.97 160.71 28.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.352 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 81.9 mt -90.73 121.09 40.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.459 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -78.22 140.1 38.92 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 92.77 -22.74 32.1 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.189 -0.765 . . . . 0.0 111.189 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 14.2 m0 -96.87 -177.56 3.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.149 0.5 . . . . 0.0 111.102 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -133.71 110.0 12.18 Favored Pre-proline 0 CA--C 1.536 0.41 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.225 178.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -72.23 145.76 44.41 Favored 'Trans proline' 0 N--CA 1.491 1.375 0 C-N-CA 121.249 1.299 . . . . 0.0 112.374 -178.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 18.4 tptm -84.46 -49.01 9.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.413 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -131.77 128.31 38.55 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.711 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 69.5 t -129.1 123.38 58.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.269 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 25.8 pt -141.67 164.02 19.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 C-N-CA 120.471 -0.492 . . . . 0.0 111.295 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 10.1 mtmm -120.76 152.55 38.17 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.243 -0.889 . . . . 0.0 111.672 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 63.5 t -126.98 130.26 71.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 CA-C-N 115.124 -0.943 . . . . 0.0 109.388 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -114.17 119.11 35.95 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.161 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -138.52 100.05 3.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.739 0.304 . . . . 0.0 110.569 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 95.57 -118.53 5.94 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -118.02 17.13 14.16 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.736 0.303 . . . . 0.0 110.576 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 63.5 mtt -139.76 157.34 45.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.126 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 52.8 p30 -127.46 163.59 23.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.206 0.527 . . . . 0.0 110.775 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -137.53 148.05 45.66 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.195 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 63.1 m -123.3 140.32 53.14 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 75.3 t -129.18 132.2 67.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.729 0.299 . . . . 0.0 110.814 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -110.12 132.79 53.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.083 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 70.3 tp -111.27 133.22 53.76 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -128.54 165.89 19.87 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 58.4 t -130.33 124.42 57.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.403 178.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' ILE . . . . . . . . . . . . . 50.7 mm -68.78 134.1 30.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.707 -179.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 114.41 -41.04 2.28 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.053 -1.219 . . . . 0.0 110.053 -179.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 16.6 tm-20 -128.65 125.64 38.51 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 179.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . 0.709 ' HD1' ' H ' ' A' ' 161' ' ' LYS . 0.3 OUTLIER -164.47 -84.9 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.222 -179.666 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . 0.709 ' H ' ' HD1' ' A' ' 160' ' ' HIS . 38.7 ttmt -61.78 135.2 57.5 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.361 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.645 -179.665 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ttt . . . . . 0 N--CA 1.489 1.525 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.4 m -126.15 147.03 49.72 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.447 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -129.15 142.9 50.74 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.556 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.4 ' O ' ' CG2' ' A' ' 4' ' ' VAL . 33.2 m -130.87 67.34 80.6 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.398 179.747 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -74.6 -62.26 0.04 OUTLIER 'Trans proline' 0 C--N 1.308 -1.57 0 C-N-CA 122.441 2.094 . . . . 0.0 112.452 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 73.9 t60 46.98 33.41 2.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.448 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.438 ' CG2' ' O ' ' A' ' 7' ' ' VAL . 34.7 m -129.7 77.64 76.64 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.646 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -54.28 141.92 69.7 Favored 'Trans proline' 0 N--CA 1.496 1.65 0 C-N-CA 122.716 2.277 . . . . 0.0 112.152 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -115.19 129.45 56.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.771 -179.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.446 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 29.5 m -110.59 112.91 56.21 Favored Pre-proline 0 CA--C 1.537 0.477 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.087 179.585 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -73.13 -46.17 0.4 Allowed 'Trans proline' 0 N--CA 1.491 1.377 0 C-N-CA 121.3 1.333 . . . . 0.0 112.899 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 44.2 p -46.33 110.51 1.23 Allowed Pre-proline 0 CA--C 1.536 0.409 0 N-CA-C 111.777 0.288 . . . . 0.0 111.777 -178.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -55.32 174.74 0.22 Allowed 'Trans proline' 0 N--CA 1.493 1.46 0 C-N-CA 121.931 1.754 . . . . 0.0 111.757 178.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.2 pm0 -62.3 -13.12 25.3 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.9 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -46.09 -20.8 0.11 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.902 -179.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.5 t -60.64 -44.25 96.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.378 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.5 p -67.25 -31.47 53.2 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.493 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.4 mmt85 -61.73 -41.18 97.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.312 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.1 mmt180 -67.16 -38.68 85.88 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.594 -0.442 . . . . 0.0 111.349 179.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 62.6 mtt -62.21 -36.73 82.86 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.3 0.571 . . . . 0.0 110.614 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 89.5 mt -70.37 -40.92 73.72 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.379 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -64.93 -44.88 88.03 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -179.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 33.5 pt -66.97 -35.31 74.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.845 -178.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.01 -11.76 61.08 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.28 0.562 . . . . 0.0 109.584 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.0 tptm 64.26 30.23 13.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.897 179.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.0 p -62.5 120.77 9.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.371 0.605 . . . . 0.0 110.541 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 92.2 p -114.66 171.68 7.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.006 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.2 pt20 -60.09 -17.43 39.67 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.371 -179.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -98.31 2.37 48.02 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 120.856 -0.338 . . . . 0.0 111.549 -179.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.488 ' OD1' ' O ' ' A' ' 31' ' ' ILE . 0.2 OUTLIER -108.26 137.46 46.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.847 0.356 . . . . 0.0 111.617 -179.483 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.488 ' O ' ' OD1' ' A' ' 30' ' ' ASP . 1.2 pp -90.27 154.83 3.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.025 179.378 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 92.8 t -120.96 118.23 55.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.321 0.581 . . . . 0.0 112.423 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.432 ' OH ' ' OE2' ' A' ' 95' ' ' GLU . 2.1 m-30 -113.25 104.91 12.81 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.241 -0.89 . . . . 0.0 108.7 177.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -123.19 142.53 50.8 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.914 0.388 . . . . 0.0 111.02 -179.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.4 mp -108.45 4.05 23.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.437 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.46 ' O ' ' O ' ' A' ' 37' ' ' CYS . . . -94.85 11.63 69.48 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.391 -0.684 . . . . 0.0 111.391 -179.719 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.591 ' SG ' ' N ' ' A' ' 40' ' ' GLY . 19.9 t -42.55 -98.91 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.638 0.256 . . . . 0.0 111.171 -179.496 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.51 ' N ' ' SG ' ' A' ' 37' ' ' CYS . . . 75.03 8.13 82.64 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.483 ' OD2' ' NH1' ' A' ' 64' ' ' ARG . 1.2 m-20 174.28 -19.33 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.579 0.228 . . . . 0.0 110.701 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.591 ' N ' ' SG ' ' A' ' 37' ' ' CYS . . . 91.71 -3.27 78.0 Favored Glycine 0 C--O 1.219 -0.792 0 C-N-CA 121.041 -0.6 . . . . 0.0 111.613 179.467 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -60.8 -26.64 67.44 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.234 -0.586 . . . . 0.0 110.69 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.445 ' CG2' ' N ' ' A' ' 43' ' ' ILE . 17.4 tt -70.6 -43.91 77.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.339 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.445 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 33.4 pt -89.49 -30.28 5.16 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -179.097 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 69.8 mt -62.01 -41.58 91.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 111.801 0.296 . . . . 0.0 111.801 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 95.0 m -65.35 -25.14 67.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.12 0.486 . . . . 0.0 110.16 179.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.548 ' O ' ' N ' ' A' ' 50' ' ' PHE . . . -73.09 -67.1 0.6 Allowed 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.894 179.099 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.53 -38.65 81.55 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.588 -178.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -63.07 -46.31 88.07 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.803 -0.359 . . . . 0.0 111.421 -179.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -105.82 -52.36 2.83 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 112.705 0.632 . . . . 0.0 112.705 -178.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.548 ' N ' ' O ' ' A' ' 46' ' ' ALA . 52.4 m-85 -72.45 -6.69 45.39 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -178.413 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 49.64 34.28 7.03 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.726 -0.39 . . . . 0.0 111.431 178.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.7 m -45.3 164.64 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.514 0 CA-C-O 121.332 0.587 . . . . 0.0 111.279 -178.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -72.07 -50.71 26.1 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.217 -0.901 . . . . 0.0 109.341 178.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.586 ' HZ2' ' CG2' ' A' ' 56' ' ' VAL . 13.3 ttpp -151.54 127.54 10.39 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -117.29 129.39 55.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.105 0.479 . . . . 0.0 110.211 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.586 ' CG2' ' HZ2' ' A' ' 54' ' ' LYS . 79.2 t -132.33 133.83 59.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.222 -179.462 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -108.97 137.41 14.16 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.045 -1.222 . . . . 0.0 110.045 178.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 92.7 t -115.51 129.05 72.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.852 0.358 . . . . 0.0 110.356 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 174.26 159.86 0.17 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.483 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.422 ' O ' ' OD1' ' A' ' 61' ' ' ASN . 20.6 tt -135.02 122.15 36.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.422 ' OD1' ' O ' ' A' ' 60' ' ' ILE . 82.9 m-20 -148.11 177.54 9.3 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 -179.721 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -109.12 -70.6 0.8 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.757 0.313 . . . . 0.0 110.945 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -70.43 -38.28 74.53 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.508 -179.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.507 ' NH1' ' O ' ' A' ' 38' ' ' GLY . 78.6 mtp85 -79.65 -7.74 58.76 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.665 -178.588 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.443 ' CG2' ' N ' ' A' ' 66' ' ' ARG . 12.6 tt -64.53 -37.94 81.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.257 -0.577 . . . . 0.0 111.138 -179.032 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.443 ' N ' ' CG2' ' A' ' 65' ' ' ILE . 8.1 ptm180 -81.82 -28.04 33.33 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.084 -179.308 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.07 -48.64 80.76 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 120.379 -0.528 . . . . 0.0 110.873 -179.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.95 -41.66 96.76 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 -178.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 30.2 mt -59.94 -42.41 93.97 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.304 -0.558 . . . . 0.0 109.918 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.02 -38.43 91.06 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.729 179.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -63.11 -24.8 68.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.091 -178.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.5 mp -73.48 -48.17 42.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 178.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.28 -38.64 91.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.225 179.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -56.27 -40.05 73.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.306 -179.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -94.1 4.0 54.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.206 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 49.83 43.95 39.45 Favored Glycine 0 CA--C 1.526 0.776 0 C-N-CA 121.142 -0.552 . . . . 0.0 112.249 178.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 5.6 m -109.02 16.16 7.73 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.389 0 CA-C-N 116.974 0.387 . . . . 0.0 111.635 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.5 p -48.93 160.74 0.17 Allowed 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 121.751 0.786 . . . . 0.0 111.257 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 76.98 -12.58 11.08 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 114.382 -1.281 . . . . 0.0 111.028 178.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 -121.61 -24.87 5.22 Favored 'General case' 0 CA--C 1.522 -0.11 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 179.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -122.85 134.66 54.38 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.303 -179.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 91.1 p -149.14 166.97 27.21 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.273 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -130.0 140.15 49.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.157 179.649 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 86.4 t -125.32 128.92 73.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.81 -179.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 17.6 ptmt -103.73 158.39 16.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.463 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 132.89 -159.27 23.45 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.658 -0.977 . . . . 0.0 110.658 -179.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -95.97 126.9 41.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.924 0.393 . . . . 0.0 110.637 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.447 ' CZ ' ' SD ' ' A' ' 110' ' ' MET . 39.4 p90 -50.69 -30.01 12.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.71 -179.204 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -61.05 -48.61 80.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.248 0.547 . . . . 0.0 109.801 179.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -63.28 -39.5 94.76 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.369 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 90.1 t -71.11 129.78 34.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.66 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.443 ' OD1' ' O ' ' A' ' 92' ' ' ASP . 52.7 p-10 -102.61 137.85 40.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.518 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 47.4 pt -118.68 10.93 6.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.25 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 75.8 m -56.94 -35.49 69.14 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.823 -178.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.432 ' OE2' ' OH ' ' A' ' 33' ' ' TYR . 17.0 pt-20 -69.57 -18.19 63.61 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.744 -179.751 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.33 132.5 47.19 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -178.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.451 ' CG2' ' OD1' ' A' ' 30' ' ' ASP . 12.0 t -100.36 -23.29 14.8 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 178.619 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 55.7 t -134.74 131.25 53.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.065 178.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 92.9 t -133.0 140.44 47.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.087 0.47 . . . . 0.0 111.072 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 72.4 p -135.78 154.0 51.36 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.63 179.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 63.3 tpp -134.08 126.47 30.16 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.36 179.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -152.03 87.83 1.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.427 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.531 ' O ' ' ND2' ' A' ' 106' ' ' ASN . 60.3 tp -150.8 135.89 17.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.968 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 91.5 mt -70.91 141.88 51.14 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.385 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 2.7 m 65.1 64.75 0.61 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.052 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.531 ' ND2' ' O ' ' A' ' 103' ' ' LEU . 98.5 m-20 -105.37 133.18 50.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.577 179.696 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 34.0 m -71.08 -31.95 46.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.961 0.41 . . . . 0.0 110.231 179.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.569 ' ND2' ' CG ' ' A' ' 130' ' ' PHE . 79.1 m-20 56.37 36.65 27.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.044 179.709 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.418 ' C ' ' H ' ' A' ' 111' ' ' LEU . 98.1 mt-10 -113.63 -25.35 8.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.453 179.293 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.447 ' SD ' ' CZ ' ' A' ' 88' ' ' PHE . 38.9 mmt -77.27 27.36 0.15 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.388 -178.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.418 ' H ' ' C ' ' A' ' 109' ' ' GLU . 7.2 mp -121.94 66.47 0.91 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.787 -0.819 . . . . 0.0 108.787 178.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.542 ' C ' ' H ' ' A' ' 114' ' ' LYS . 53.1 mtpt -71.19 153.36 94.35 Favored Pre-proline 0 CA--C 1.537 0.444 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.478 -178.543 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -46.98 -6.45 0.03 OUTLIER 'Trans proline' 0 N--CA 1.497 1.696 0 C-N-CA 122.488 2.125 . . . . 0.0 112.681 178.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.542 ' H ' ' C ' ' A' ' 112' ' ' LYS . 63.3 mttp -58.17 -16.09 12.21 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 121.051 -0.259 . . . . 0.0 110.452 -179.545 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 95.8 mt -60.01 -36.4 77.15 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -63.82 -21.37 66.4 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.722 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 70.9 mttt -99.17 -39.95 8.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.134 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -73.82 -53.1 11.0 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.843 -179.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 8.2 mp -82.96 130.78 35.18 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -71.07 150.71 94.84 Favored Pre-proline 0 C--N 1.327 -0.375 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.548 -179.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -52.5 138.3 57.32 Favored 'Trans proline' 0 N--CA 1.496 1.658 0 C-N-CA 121.596 1.531 . . . . 0.0 112.075 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 99.05 -2.35 58.03 Favored Glycine 0 CA--C 1.52 0.386 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 1.7 m -72.0 145.09 48.57 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 178.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -103.6 131.32 50.85 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.404 ' HB ' ' CE1' ' A' ' 155' ' ' TYR . 30.2 t -129.5 137.37 57.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.853 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 91.3 t -126.6 128.44 71.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -179.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.412 ' OG ' ' O ' ' A' ' 130' ' ' PHE . 26.9 t -100.31 149.51 23.54 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.289 178.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . 0.465 ' CG ' ' N ' ' A' ' 129' ' ' GLU . 18.7 t-160 -56.77 -98.55 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.521 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.465 ' N ' ' CG ' ' A' ' 128' ' ' HIS . 24.5 pt-20 -113.37 -16.91 12.39 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.387 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.569 ' CG ' ' ND2' ' A' ' 108' ' ' ASN . 92.4 m-85 -89.06 131.94 35.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.966 0.412 . . . . 0.0 111.298 -179.012 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -85.78 161.03 19.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.518 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.47 ' CD1' ' CE1' ' A' ' 155' ' ' TYR . 79.1 mt -95.11 119.47 43.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.58 -179.587 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -72.84 139.99 47.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.877 179.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 90.46 -23.18 23.42 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 14.6 m0 -104.2 152.11 22.55 Favored 'General case' 0 C--O 1.231 0.101 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . 0.735 HD21 ' H ' ' A' ' 162' ' ' ALA . 66.1 m-20 -112.0 101.73 52.29 Favored Pre-proline 0 CA--C 1.536 0.419 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.695 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -56.37 150.44 50.35 Favored 'Trans proline' 0 N--CA 1.496 1.632 0 C-N-CA 122.151 1.9 . . . . 0.0 112.242 179.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -87.11 -48.7 7.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.516 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -124.73 127.08 46.7 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.58 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 63.6 t -130.04 124.07 57.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.382 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 28.6 pt -141.45 163.05 20.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 120.55 -0.46 . . . . 0.0 111.241 179.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 21.8 mtmt -122.95 149.76 43.85 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.788 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 61.9 t -124.03 129.04 74.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.03 -0.986 . . . . 0.0 109.499 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -113.69 127.23 55.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.973 0.416 . . . . 0.0 110.685 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -145.34 100.61 3.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.761 -179.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 93.82 -113.8 4.6 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 32.4 p-10 -121.39 14.98 11.25 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.913 0.387 . . . . 0.0 110.879 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 75.1 mtm -140.78 157.39 45.48 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.175 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 50.6 p30 -130.21 168.56 16.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.28 0.562 . . . . 0.0 110.808 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -139.14 150.05 45.18 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.333 -179.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.435 ' O ' ' O ' ' A' ' 128' ' ' HIS . 63.7 m -123.56 139.3 54.15 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 58.7 t -125.89 131.19 72.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.785 0.326 . . . . 0.0 110.174 -179.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -109.76 130.04 55.56 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.967 -179.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 46.7 tp -116.2 122.76 45.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.405 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . 0.596 ' N ' ' CD2' ' A' ' 155' ' ' TYR . 0.3 OUTLIER -134.41 132.56 39.53 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.111 0.481 . . . . 0.0 110.711 179.756 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 86.2 t -96.41 133.68 36.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.406 -179.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' ILE . . . . . . . . . . . . . 45.9 mm -69.35 145.56 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.513 179.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 125.84 -32.71 3.76 Favored Glycine 0 CA--C 1.518 0.274 0 N-CA-C 109.352 -1.499 . . . . 0.0 109.352 -179.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -141.52 99.11 3.49 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 178.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . 0.516 ' HD1' ' H ' ' A' ' 160' ' ' HIS . 26.1 p-80 -68.36 -27.81 66.57 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.514 -0.474 . . . . 0.0 111.173 -178.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 59.9 mtpt -117.16 148.86 41.21 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 179.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . 0.735 ' H ' HD21 ' A' ' 136' ' ' ASN . . . . . . . . 0 C--N 1.327 -0.408 0 CA-C-O 117.885 -1.055 . . . . 0.0 110.456 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.9 ptt? . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.8 m 56.11 45.8 22.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.836 0.35 . . . . 0.0 110.493 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -71.3 147.74 47.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.544 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.449 ' N ' ' CD ' ' A' ' 5' ' ' PRO . 7.0 t 53.5 54.04 11.88 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.516 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.449 ' CD ' ' N ' ' A' ' 4' ' ' VAL . 46.3 Cg_endo -67.88 -19.79 46.08 Favored 'Trans proline' 0 C--N 1.307 -1.621 0 C-N-CA 122.827 2.351 . . . . 0.0 112.132 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 46.9 t-80 57.63 53.17 7.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.946 179.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.9 m -70.88 148.52 94.7 Favored Pre-proline 0 CA--C 1.534 0.339 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.336 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -71.17 150.19 59.2 Favored 'Trans proline' 0 N--CA 1.495 1.605 0 C-N-CA 122.32 2.013 . . . . 0.0 112.184 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -128.27 125.13 38.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.191 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.4 t -112.7 108.14 54.18 Favored Pre-proline 0 CA--C 1.537 0.463 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.011 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -74.52 148.05 37.08 Favored 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 121.524 1.483 . . . . 0.0 111.701 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 44.4 p -73.75 158.45 86.11 Favored Pre-proline 0 CA--C 1.535 0.394 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.243 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -58.77 148.61 82.41 Favored 'Trans proline' 0 N--CA 1.498 1.786 0 C-N-CA 121.612 1.542 . . . . 0.0 111.77 179.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -59.54 -22.47 61.74 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -60.77 -40.96 94.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.837 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 56.1 t -61.94 -45.3 99.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.757 179.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 54.9 t -63.29 -39.77 86.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.102 178.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.6 mmm-85 -59.46 -41.44 89.7 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.381 -179.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -68.56 -39.67 80.94 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 75.7 mtm -63.38 -32.76 74.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.804 0.335 . . . . 0.0 111.146 -179.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.0 mp -74.71 -41.44 60.2 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.492 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -63.34 -44.77 93.92 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -178.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 40.7 pt -66.9 -35.45 74.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.022 0.439 . . . . 0.0 110.87 -178.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.28 -8.73 48.69 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.454 -179.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp 64.21 47.88 3.08 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.031 -179.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 76.2 t -77.76 115.57 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.994 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.55 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 70.3 m -114.46 163.82 14.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.918 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -57.68 -18.24 19.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.074 -179.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -98.2 0.38 45.73 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.864 -0.334 . . . . 0.0 111.43 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.55 ' OD1' ' N ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -109.7 143.28 39.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.66 -0.245 . . . . 0.0 110.717 -179.713 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.3 pp -91.4 156.42 3.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.549 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 97.3 t -123.3 119.3 57.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.037 179.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.417 ' CG ' ' HB3' ' A' ' 96' ' ' ALA . 2.6 m-30 -115.6 109.18 17.4 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.047 178.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -123.4 140.86 52.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.844 0.354 . . . . 0.0 111.221 -179.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.5 mp -106.26 1.3 25.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.308 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.474 ' O ' ' O ' ' A' ' 37' ' ' CYS . . . -95.25 16.14 61.89 Favored Glycine 0 CA--C 1.526 0.725 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.642 -179.45 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.592 ' SG ' ' N ' ' A' ' 38' ' ' GLY . 23.8 t -48.06 -104.03 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.728 0.264 . . . . 0.0 110.984 -179.494 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.592 ' N ' ' SG ' ' A' ' 37' ' ' CYS . . . 76.91 5.84 84.94 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.604 -0.998 . . . . 0.0 110.604 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.458 ' OD2' ' NE ' ' A' ' 41' ' ' ARG . 57.0 t0 -175.16 -22.12 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.868 0.366 . . . . 0.0 110.453 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.586 ' N ' ' SG ' ' A' ' 37' ' ' CYS . . . 86.22 -0.95 87.55 Favored Glycine 0 C--O 1.218 -0.875 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.458 ' NE ' ' OD2' ' A' ' 39' ' ' ASP . 95.3 mtt-85 -63.18 -26.15 68.67 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 122.276 -0.543 . . . . 0.0 110.261 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.431 ' CG2' ' N ' ' A' ' 43' ' ' ILE . 17.5 tt -71.31 -43.12 74.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.593 -0.731 . . . . 0.0 111.33 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.431 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 34.1 pt -90.12 -30.8 5.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -179.391 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.429 ' CD1' ' CG ' ' A' ' 71' ' ' ASN . 69.0 mt -62.05 -41.05 89.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 111.568 0.21 . . . . 0.0 111.568 179.738 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 69.9 m -66.05 -23.88 66.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.088 0.47 . . . . 0.0 110.16 179.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.554 ' O ' ' N ' ' A' ' 50' ' ' PHE . . . -74.58 -66.46 0.74 Allowed 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.974 179.351 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.45 -37.72 78.88 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.525 -179.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -63.4 -46.63 85.54 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.736 -0.386 . . . . 0.0 111.371 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -106.98 -51.65 2.89 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -178.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.554 ' N ' ' O ' ' A' ' 46' ' ' ALA . 35.0 m-85 -71.86 -6.99 45.71 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.848 -178.331 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 58.9 t30 50.09 34.03 7.79 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.744 -0.382 . . . . 0.0 111.234 178.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.7 m -44.5 162.5 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 CA-C-O 121.266 0.555 . . . . 0.0 110.799 -179.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -73.23 -50.21 23.64 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.277 -0.874 . . . . 0.0 108.969 178.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.427 ' HZ3' ' CG2' ' A' ' 56' ' ' VAL . 12.9 ttpp -148.11 126.52 12.35 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.133 -0.94 . . . . 0.0 109.573 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -118.28 127.19 53.48 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.946 0.403 . . . . 0.0 110.321 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.427 ' CG2' ' HZ3' ' A' ' 54' ' ' LYS . 77.3 t -132.64 134.8 58.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.308 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -109.52 134.39 12.2 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.007 -1.237 . . . . 0.0 110.007 178.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 96.8 t -110.22 126.84 67.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 176.1 156.0 0.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.374 -179.704 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.418 ' O ' ' OD1' ' A' ' 61' ' ' ASN . 20.3 tt -135.07 121.65 34.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 179.019 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.418 ' OD1' ' O ' ' A' ' 60' ' ' ILE . 82.0 m-20 -149.28 -176.25 5.3 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -114.71 -69.37 0.86 Allowed 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.861 -0.335 . . . . 0.0 110.915 179.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -71.41 -38.79 71.41 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.905 0.384 . . . . 0.0 111.499 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 46.7 mmm-85 -80.93 -8.02 59.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.375 -178.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.5 tt -69.52 -34.61 62.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 C-N-CA 120.134 -0.626 . . . . 0.0 111.037 -178.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -80.14 -29.13 38.81 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.469 -179.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -61.71 -46.21 90.63 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.254 -0.579 . . . . 0.0 110.948 -179.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.05 -42.35 98.31 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.935 -0.306 . . . . 0.0 111.712 -178.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 28.8 mt -61.67 -42.74 99.33 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.249 -0.581 . . . . 0.0 110.056 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.41 -38.9 91.33 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.352 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.534 ' OD1' ' ND2' ' A' ' 75' ' ' ASN . 57.0 t-20 -59.67 -45.79 91.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.978 -178.558 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.5 mp -55.55 -45.92 78.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.499 -0.481 . . . . 0.0 110.765 -179.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.37 -40.62 97.76 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.174 -0.61 . . . . 0.0 109.96 179.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -57.33 -39.69 76.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.139 -179.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.534 ' ND2' ' OD1' ' A' ' 71' ' ' ASN . 65.1 m-80 -90.59 2.64 55.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.372 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 49.52 40.94 32.64 Favored Glycine 0 CA--C 1.526 0.725 0 C-N-CA 120.979 -0.629 . . . . 0.0 111.708 178.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 5.3 m -107.57 16.33 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.441 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.403 ' C ' ' H ' ' A' ' 80' ' ' ARG . 6.4 p -49.01 162.0 0.13 Allowed 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.605 0.717 . . . . 0.0 111.108 -179.658 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 78.49 -23.66 2.83 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 114.646 -1.161 . . . . 0.0 111.206 178.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.403 ' H ' ' C ' ' A' ' 78' ' ' THR . 40.7 mtt85 -110.45 -26.27 9.6 Favored 'General case' 0 C--O 1.232 0.159 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -116.87 129.42 56.06 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.215 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 57.3 m -142.49 161.59 37.66 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.434 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.33 137.93 56.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.087 179.005 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 89.3 t -125.99 129.59 72.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.009 -179.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -98.39 154.29 17.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.727 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 135.0 -163.98 24.78 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 110.558 -1.017 . . . . 0.0 110.558 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -96.04 127.01 41.68 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.274 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 37.2 p90 -51.3 -29.12 13.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.728 -179.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -61.14 -48.7 80.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.279 0.562 . . . . 0.0 109.894 179.143 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.66 -39.34 94.1 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.685 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 84.1 t -69.18 130.78 34.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.883 -179.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.411 ' O ' ' OE2' ' A' ' 95' ' ' GLU . 97.6 m-20 -92.82 130.79 38.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.887 179.56 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -115.32 6.4 7.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.171 -179.443 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.466 ' CB ' ' O ' ' A' ' 118' ' ' GLU . 93.6 p -61.38 -26.11 67.62 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.388 -178.592 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.411 ' OE2' ' O ' ' A' ' 92' ' ' ASP . 22.7 pm0 -74.17 -22.26 59.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.922 0.391 . . . . 0.0 111.312 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.417 ' HB3' ' CG ' ' A' ' 33' ' ' TYR . . . -73.68 140.82 46.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.636 -178.24 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 15.2 t -99.05 -27.25 13.93 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.118 178.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 53.5 t -129.02 130.27 68.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.572 179.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 57.8 t -138.71 150.08 23.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.104 0.478 . . . . 0.0 111.397 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 70.3 p -127.93 160.01 33.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.747 179.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 14.3 tpt -125.02 137.93 54.22 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.775 0.321 . . . . 0.0 110.445 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.417 ' CD2' ' O ' ' A' ' 103' ' ' LEU . 88.4 t80 -127.12 148.86 50.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.663 -179.54 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.417 ' O ' ' CD2' ' A' ' 102' ' ' PHE . 78.5 mt -49.07 140.38 9.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.091 0.472 . . . . 0.0 110.847 -179.494 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 84.3 mt -110.61 153.82 24.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.302 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 98.9 m -59.85 -43.54 94.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.313 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -67.34 146.3 54.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.579 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 29.7 m -99.17 10.51 6.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.483 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -67.3 158.62 31.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.788 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -55.13 170.54 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.498 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.561 ' O ' ' N ' ' A' ' 112' ' ' LYS . 66.5 mtt -133.49 -91.68 0.36 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.523 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 3.9 mp 59.0 -70.84 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.72 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.561 ' N ' ' O ' ' A' ' 110' ' ' MET . 72.2 mmtt 55.34 69.31 2.03 Favored Pre-proline 0 C--N 1.33 -0.241 0 C-N-CA 121.011 -0.275 . . . . 0.0 111.434 179.034 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.29 -17.12 35.36 Favored 'Trans proline' 0 N--CA 1.493 1.472 0 C-N-CA 122.108 1.872 . . . . 0.0 111.24 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -58.32 -12.83 4.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.41 -179.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 94.9 mt -60.1 -36.18 76.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.05 0.452 . . . . 0.0 109.859 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -62.55 -21.62 65.7 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.644 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -100.67 -38.43 8.32 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.603 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.466 ' O ' ' CB ' ' A' ' 94' ' ' SER . 77.5 mm-40 -73.07 -52.07 15.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.889 0.376 . . . . 0.0 110.69 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 85.0 mt -86.06 136.14 33.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.022 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.37 155.9 87.52 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.217 -179.21 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -57.6 139.06 89.02 Favored 'Trans proline' 0 N--CA 1.497 1.677 0 C-N-CA 121.498 1.465 . . . . 0.0 112.131 178.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 98.87 -5.44 59.74 Favored Glycine 0 CA--C 1.522 0.472 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 1.4 m -73.83 145.99 44.51 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -101.19 131.46 47.16 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.92 0.39 . . . . 0.0 111.2 -179.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 60.6 t -123.86 129.67 74.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.892 178.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 57.4 t -119.69 122.25 68.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.222 -178.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 57.7 p -82.73 167.49 18.12 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 178.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . 0.666 ' CD2' ' H ' ' A' ' 129' ' ' GLU . 5.6 p-80 -91.14 -97.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.639 -0.425 . . . . 0.0 110.321 179.136 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.666 ' H ' ' CD2' ' A' ' 128' ' ' HIS . 3.8 tt0 -98.29 -48.97 4.87 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.958 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.527 ' CE1' ' O ' ' A' ' 131' ' ' GLU . 0.0 OUTLIER -75.12 139.57 42.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.543 -178.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.527 ' O ' ' CE1' ' A' ' 130' ' ' PHE . 88.6 tt0 -88.04 143.54 27.02 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.12 179.569 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 76.1 mt -73.94 112.05 10.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 120.395 -0.522 . . . . 0.0 109.978 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -73.0 141.29 47.73 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 179.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 92.4 -22.39 32.96 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 9.7 m0 -102.73 144.97 30.4 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.952 0.406 . . . . 0.0 111.176 -179.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . 0.539 ' O ' ' CE1' ' A' ' 160' ' ' HIS . 72.4 m-20 -97.59 116.86 65.85 Favored Pre-proline 0 C--N 1.324 -0.523 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 178.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -73.18 146.35 40.64 Favored 'Trans proline' 0 N--CA 1.495 1.565 0 C-N-CA 121.583 1.522 . . . . 0.0 112.557 -178.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -84.09 -50.07 8.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.572 179.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -136.81 139.61 41.87 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.908 179.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 1.6 p -150.83 134.73 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.895 0.379 . . . . 0.0 111.097 179.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 22.9 pt -141.23 167.0 17.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.668 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 8.6 mtmm -118.27 150.8 38.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.083 179.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 57.4 t -126.89 128.61 70.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.802 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -111.48 116.98 31.8 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.001 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -136.83 98.99 3.91 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.963 -0.295 . . . . 0.0 110.575 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 96.59 -120.07 6.53 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -115.57 16.04 16.57 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.77 0.319 . . . . 0.0 110.744 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 63.8 mtt -140.3 158.05 44.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.234 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 57.7 p30 -126.44 164.51 20.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.27 0.557 . . . . 0.0 110.83 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -137.16 148.52 46.66 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.996 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 61.8 m -125.76 140.97 52.24 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 88.4 t -129.65 135.73 60.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.711 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -112.96 132.13 55.47 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.777 179.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 61.4 tp -113.1 118.79 35.73 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.657 179.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -111.9 167.4 10.4 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 179.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . 0.847 ' H ' ' HE2' ' A' ' 160' ' ' HIS . 67.5 t -134.12 126.58 50.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.372 178.765 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' ILE . . . . . . . . . . . . . 44.0 mm -71.4 138.22 22.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.692 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 125.49 -33.63 3.56 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.679 -0.968 . . . . 0.0 110.679 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . 0.55 ' O ' ' CG ' ' A' ' 160' ' ' HIS . 88.4 tt0 -149.15 100.41 3.04 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-O 120.958 0.409 . . . . 0.0 110.124 178.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . 0.847 ' HE2' ' H ' ' A' ' 156' ' ' VAL . 3.1 m-70 -169.64 178.37 4.16 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.544 -179.623 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . 0.479 ' O ' ' CB ' ' A' ' 162' ' ' ALA . 16.0 ttmt 83.19 -16.88 0.54 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.243 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . 0.479 ' CB ' ' O ' ' A' ' 161' ' ' LYS . . . . . . . . 0 C--O 1.221 -0.416 0 CA-C-O 117.961 -1.018 . . . . 0.0 110.494 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.492 1.638 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.8 t -63.08 139.9 58.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.368 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -110.41 125.57 53.39 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.541 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.447 ' N ' ' CD ' ' A' ' 5' ' ' PRO . 0.6 OUTLIER -68.86 -44.45 30.3 Favored Pre-proline 0 CA--C 1.535 0.392 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.622 179.835 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.447 ' CD ' ' N ' ' A' ' 4' ' ' VAL . 72.1 Cg_endo -75.28 155.22 41.61 Favored 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 121.61 1.54 . . . . 0.0 112.251 -179.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -141.08 70.97 1.35 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.955 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.642 ' N ' ' CD ' ' A' ' 8' ' ' PRO . 0.7 OUTLIER -65.45 -39.33 33.02 Favored Pre-proline 0 C--N 1.328 -0.345 0 C-N-CA 120.671 -0.412 . . . . 0.0 111.218 179.611 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 7' ' ' VAL . 46.6 Cg_exo -59.37 150.08 77.21 Favored 'Trans proline' 0 C--N 1.303 -1.832 0 C-N-CA 122.713 2.275 . . . . 0.0 112.151 179.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.448 ' CD2' ' N ' ' A' ' 10' ' ' VAL . 40.0 t80 -55.93 150.35 13.53 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.149 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.516 ' O ' ' O ' ' A' ' 11' ' ' PRO . 31.2 m -127.7 125.82 23.81 Favored Pre-proline 0 C--N 1.327 -0.383 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 178.473 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.516 ' O ' ' O ' ' A' ' 10' ' ' VAL . 53.1 Cg_exo -35.84 -106.57 0.0 OUTLIER 'Trans proline' 0 N--CA 1.497 1.695 0 C-N-CA 122.389 2.059 . . . . 0.0 112.977 -179.23 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 56.7 p -97.98 119.62 61.78 Favored Pre-proline 0 CA--C 1.535 0.39 0 O-C-N 121.781 -0.575 . . . . 0.0 109.944 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_endo -76.78 157.05 35.38 Favored 'Trans proline' 0 N--CA 1.491 1.329 0 C-N-CA 121.607 1.538 . . . . 0.0 112.273 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -59.29 -15.54 16.46 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.932 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -59.9 -39.41 85.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.264 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 74.6 t -61.72 -46.92 95.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.353 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 54.0 t -64.52 -39.42 85.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.46 179.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.8 mmm-85 -58.88 -41.7 87.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.312 -178.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -66.47 -38.61 87.71 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.556 -0.457 . . . . 0.0 111.474 179.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 64.6 mtt -62.34 -36.55 82.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.484 -179.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.2 mp -72.55 -40.53 66.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.12 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -63.13 -45.36 92.32 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.807 0.337 . . . . 0.0 111.881 -179.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.465 ' C ' ' H ' ' A' ' 25' ' ' LYS . 38.0 pt -70.95 -33.0 50.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.922 -179.004 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.28 30.26 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.255 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.465 ' H ' ' C ' ' A' ' 23' ' ' ILE . 72.5 mmtt 33.54 50.66 0.3 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.403 -0.817 . . . . 0.0 112.0 177.478 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 91.5 t -85.7 112.33 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 120.265 -0.574 . . . . 0.0 111.022 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.8 t -114.67 171.4 7.66 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.738 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -61.23 -18.72 59.75 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.887 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.432 ' O ' ' OD1' ' A' ' 29' ' ' ASP . 52.6 t0 -94.13 -14.85 25.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.939 -179.764 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -96.05 144.74 26.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.838 0.352 . . . . 0.0 110.916 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.6 pp -95.1 160.53 2.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.521 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 95.4 t -125.25 120.83 59.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.234 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.456 ' OH ' ' OE2' ' A' ' 95' ' ' GLU . 1.8 m-30 -116.44 102.09 9.21 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 178.164 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -118.46 143.58 46.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.011 0.434 . . . . 0.0 111.416 -178.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -109.05 3.62 22.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.466 179.747 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.468 ' O ' ' O ' ' A' ' 37' ' ' CYS . . . -95.41 13.43 66.67 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.56 -0.616 . . . . 0.0 111.56 -179.585 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.594 ' SG ' ' N ' ' A' ' 40' ' ' GLY . 13.7 t -42.54 -100.08 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.661 0.267 . . . . 0.0 111.056 -179.399 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.565 ' N ' ' SG ' ' A' ' 37' ' ' CYS . . . 76.25 5.28 81.12 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' A' ' 40' ' ' GLY . 48.8 p30 179.86 -21.5 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 120.692 0.282 . . . . 0.0 110.589 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.594 ' N ' ' SG ' ' A' ' 37' ' ' CYS . . . 91.05 -7.34 81.13 Favored Glycine 0 C--O 1.22 -0.767 0 N-CA-C 110.527 -1.029 . . . . 0.0 110.527 -179.679 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.8 tpp85 -56.22 -28.2 57.5 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.048 0.452 . . . . 0.0 110.341 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.445 ' CG2' ' N ' ' A' ' 43' ' ' ILE . 18.0 tt -69.25 -44.48 80.54 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.478 -179.494 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.445 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 29.7 pt -89.32 -29.62 5.15 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -179.212 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 73.2 mt -61.64 -42.24 93.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.65 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 75.4 m -65.54 -23.16 66.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.147 0.498 . . . . 0.0 110.165 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.574 ' O ' ' N ' ' A' ' 50' ' ' PHE . . . -75.69 -66.39 0.78 Allowed 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.92 179.356 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.58 -38.5 81.36 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.473 -179.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -62.86 -45.91 90.36 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.561 -0.455 . . . . 0.0 111.248 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -106.76 -52.33 2.79 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -178.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.574 ' N ' ' O ' ' A' ' 46' ' ' ALA . 33.8 m-85 -72.35 -6.92 46.69 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -178.352 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 57.8 t30 51.52 33.09 9.82 Favored 'General case' 0 C--N 1.331 -0.216 0 O-C-N 122.092 -0.38 . . . . 0.0 111.756 178.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.407 ' O ' ' CG2' ' A' ' 52' ' ' VAL . 3.0 m -53.79 126.29 9.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.364 0.602 . . . . 0.0 110.893 -179.158 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -46.86 -45.21 20.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.207 -178.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.556 ' NZ ' ' CG2' ' A' ' 56' ' ' VAL . 17.8 tttm -141.54 127.9 19.93 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.905 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 80' ' ' ARG . . . -127.68 130.51 48.99 Favored 'General case' 0 C--N 1.333 -0.111 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 179.59 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.556 ' CG2' ' NZ ' ' A' ' 54' ' ' LYS . 58.6 t -135.59 135.35 51.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.522 -179.284 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -109.16 126.44 8.1 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 109.755 -1.338 . . . . 0.0 109.755 178.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 96.2 t -98.44 123.0 50.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.45 ' OE1' ' N ' ' A' ' 38' ' ' GLY . 88.3 tt0 -173.14 148.34 1.68 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.751 -179.642 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.43 ' CG2' ' O ' ' A' ' 60' ' ' ILE . 16.8 tt -133.98 113.38 17.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 178.643 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.474 ' ND2' HH21 ' A' ' 64' ' ' ARG . 36.5 t30 -151.32 179.46 8.31 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 179.389 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -106.91 -65.59 1.08 Allowed 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.725 -0.39 . . . . 0.0 111.672 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -69.54 -38.97 77.72 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 -178.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.474 HH21 ' ND2' ' A' ' 61' ' ' ASN . 84.2 mtt85 -77.1 -7.9 56.55 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.319 -178.556 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.457 ' CG2' ' N ' ' A' ' 66' ' ' ARG . 15.8 tt -61.63 -38.73 80.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 120.451 -0.5 . . . . 0.0 111.272 -178.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.457 ' N ' ' CG2' ' A' ' 65' ' ' ILE . 33.0 ptt180 -80.78 -31.02 35.91 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.294 -178.816 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -60.8 -50.91 71.55 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 120.099 -0.641 . . . . 0.0 111.145 -178.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.22 -40.91 97.67 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 112.608 0.596 . . . . 0.0 112.608 -178.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 36.7 mt -60.44 -40.64 91.84 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.375 -0.53 . . . . 0.0 110.15 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.3 -38.13 89.94 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.7 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -66.3 -24.87 66.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.17 -178.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.5 mp -74.1 -48.61 37.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 178.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.7 -39.11 93.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.184 179.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -56.82 -40.02 75.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.285 -179.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 66.0 m-80 -93.52 4.09 54.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.894 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 49.51 42.58 35.08 Favored Glycine 0 CA--C 1.525 0.698 0 C-N-CA 121.178 -0.534 . . . . 0.0 111.958 178.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 5.1 m -107.92 15.8 7.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 C-N-CA 120.689 -0.404 . . . . 0.0 111.583 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.415 ' C ' ' H ' ' A' ' 80' ' ' ARG . 7.1 p -46.69 162.75 0.04 OUTLIER 'General case' 0 CA--C 1.513 -0.451 0 CA-C-O 121.484 0.659 . . . . 0.0 111.212 -179.628 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 77.66 -32.48 1.66 Allowed Glycine 0 N--CA 1.444 -0.778 0 CA-C-N 114.839 -1.073 . . . . 0.0 111.159 179.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.467 ' O ' ' N ' ' A' ' 55' ' ' ALA . 51.8 mtt-85 -102.13 -25.74 13.61 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 116.981 0.391 . . . . 0.0 110.284 -179.53 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -122.76 135.4 54.55 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.318 -179.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 96.8 p -151.18 168.8 23.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.324 -179.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.02 137.27 58.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.246 179.407 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 94.3 t -126.98 131.65 70.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.021 -179.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 29.6 mtmm -101.12 152.69 20.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.038 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 148.25 -174.25 28.0 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 179.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -83.22 137.32 34.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.971 0.415 . . . . 0.0 110.612 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -59.28 -38.84 81.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.566 -178.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -65.68 -41.55 92.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.259 0.552 . . . . 0.0 110.02 179.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -67.67 -37.31 82.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.357 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 87.0 t -68.71 125.1 25.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.186 0.517 . . . . 0.0 111.436 -178.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -100.57 125.63 46.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.915 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 46.9 pt -111.34 18.54 7.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.807 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 91.9 p -60.51 -27.82 67.9 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.167 -178.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.456 ' OE2' ' OH ' ' A' ' 33' ' ' TYR . 21.5 pt-20 -74.04 -21.14 60.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.847 0.355 . . . . 0.0 111.043 179.625 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -72.96 140.76 47.62 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.383 -178.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 9.9 t -100.35 -25.48 14.21 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.845 178.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 75.7 t -131.92 131.67 61.68 Favored 'Isoleucine or valine' 0 C--O 1.231 0.101 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.348 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 20.3 m -138.94 153.5 25.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.033 0.444 . . . . 0.0 111.01 179.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 70.9 p -139.68 159.71 41.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.206 179.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 99.1 mtp -128.2 131.9 48.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.183 179.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.476 ' O ' ' CD2' ' A' ' 102' ' ' PHE . 85.5 t80 -153.37 82.75 1.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.464 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.47 ' CD2' ' O ' ' A' ' 105' ' ' THR . 58.2 tp -149.89 135.28 18.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.171 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 60.0 tp -61.02 -43.29 99.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.543 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.47 ' O ' ' CD2' ' A' ' 103' ' ' LEU . 97.1 m -110.87 129.34 55.9 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.871 -179.624 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 56.2 p30 -150.65 174.25 13.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.45 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 83.3 t -120.84 124.38 72.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.699 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -101.04 7.69 43.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.403 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -83.61 139.07 33.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.644 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 63.5 mtt 43.53 28.91 0.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.78 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.3 mp -130.76 95.42 3.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.489 179.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 6.1 mtmt 177.72 -56.35 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.551 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -72.17 -19.79 25.64 Favored 'Trans proline' 0 N--CA 1.493 1.474 0 C-N-CA 121.909 1.739 . . . . 0.0 112.462 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -65.31 -35.85 82.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.905 179.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 97.9 mt -59.44 -37.06 77.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.462 -178.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.54 -22.73 67.05 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.835 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -99.66 -42.1 7.02 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.935 -179.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -72.15 -52.8 14.94 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.858 -179.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 88.5 mt -86.78 128.51 35.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.292 -179.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -73.92 153.07 88.95 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.389 -179.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -52.0 136.07 52.16 Favored 'Trans proline' 0 N--CA 1.496 1.647 0 C-N-CA 121.621 1.547 . . . . 0.0 112.307 179.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 103.16 -6.74 51.13 Favored Glycine 0 CA--C 1.52 0.36 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 16.0 m -71.37 142.18 50.36 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -98.14 129.17 44.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.001 0.429 . . . . 0.0 110.476 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 59.9 t -122.75 128.64 75.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.979 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 52.6 t -119.84 121.45 66.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.692 -179.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 4.1 t -93.08 159.07 15.46 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.299 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . 0.572 ' CG ' ' N ' ' A' ' 129' ' ' GLU . 78.8 t60 -71.43 -103.04 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.468 -179.439 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.572 ' N ' ' CG ' ' A' ' 128' ' ' HIS . 52.0 tp10 -106.74 -25.26 11.81 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.825 -179.603 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -80.49 138.09 36.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.91 -179.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -91.17 138.48 31.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.246 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 64.7 mt -70.54 114.07 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.451 -0.5 . . . . 0.0 109.854 -179.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 20.0 tpt180 -74.49 139.47 43.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.575 179.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 90.48 -22.15 28.74 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.236 -0.745 . . . . 0.0 111.236 179.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . 0.59 ' CZ3' ' CE2' ' A' ' 155' ' ' TYR . 16.7 m0 -106.39 154.07 21.34 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . 0.523 HD21 ' C ' ' A' ' 135' ' ' TRP . 2.0 m120 -112.08 99.86 47.32 Favored Pre-proline 0 CA--C 1.535 0.379 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.104 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo -55.62 151.68 37.72 Favored 'Trans proline' 0 N--CA 1.498 1.739 0 C-N-CA 122.356 2.037 . . . . 0.0 111.919 179.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -87.33 -51.61 5.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.002 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -125.8 123.1 38.02 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.739 -179.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 58.0 t -129.13 126.47 64.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.756 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 24.2 pt -141.71 164.14 19.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.462 -0.495 . . . . 0.0 111.36 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 20.7 mtmt -121.54 150.32 41.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.399 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 60.0 t -126.28 129.74 72.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.826 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -109.99 119.15 38.39 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.836 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -139.15 97.56 3.33 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.818 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 97.6 -120.67 6.83 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -114.79 15.6 17.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.749 0.309 . . . . 0.0 110.307 179.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' MET . . . . . 0.506 ' N ' ' SD ' ' A' ' 148' ' ' MET . 2.7 mpp? -141.19 157.38 45.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.503 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 49.6 p30 -124.82 166.34 16.41 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.24 0.543 . . . . 0.0 110.73 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -138.22 148.24 44.57 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.044 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.423 ' O ' ' O ' ' A' ' 128' ' ' HIS . 61.6 m -124.01 139.31 54.07 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 179.707 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 70.4 t -128.5 131.08 69.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.182 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -106.83 131.25 54.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.128 -179.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 64.7 tp -115.54 124.81 51.97 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.757 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . 0.59 ' CE2' ' CZ3' ' A' ' 135' ' ' TRP . 72.6 t80 -139.6 131.45 27.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.813 0.34 . . . . 0.0 111.231 -179.526 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 6.4 p -98.22 139.56 20.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.686 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' ILE . . . . . . . . . . . . . 47.6 mm -73.56 135.07 28.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.307 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 140.17 -32.94 2.14 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . 0.453 ' O ' ' OH ' ' A' ' 155' ' ' TYR . 52.8 tp10 -146.93 115.65 6.79 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 179.3 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . 0.566 ' O ' ' N ' ' A' ' 162' ' ' ALA . 25.8 p80 -108.82 -139.13 0.38 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.366 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . 0.48 ' C ' ' O ' ' A' ' 160' ' ' HIS . 14.4 mtmt 20.25 -81.65 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.514 0 O-C-N 123.638 0.586 . . . . 0.0 112.312 -179.408 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . 0.566 ' N ' ' O ' ' A' ' 160' ' ' HIS . . . . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 117.952 -1.023 . . . . 0.0 110.626 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.3 mtm . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.468 -0.568 . . . . 0.0 109.468 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.5 p -152.91 160.56 43.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.476 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.411 ' O ' ' CG ' ' A' ' 3' ' ' TYR . 17.8 t80 177.27 -19.17 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.775 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.587 ' N ' ' CD ' ' A' ' 5' ' ' PRO . 1.4 t -61.72 -39.97 65.47 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.135 -179.535 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 4' ' ' VAL . 31.7 Cg_exo -60.59 138.16 78.26 Favored 'Trans proline' 0 N--CA 1.496 1.674 0 C-N-CA 122.022 1.815 . . . . 0.0 111.94 -179.647 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.534 ' CG ' ' O ' ' A' ' 5' ' ' PRO . 0.9 OUTLIER 163.69 -85.09 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.135 0.493 . . . . 0.0 110.223 179.83 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.427 ' CG2' ' O ' ' A' ' 7' ' ' VAL . 33.2 m -130.03 71.42 82.2 Favored Pre-proline 0 C--N 1.32 -0.707 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.429 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.4 152.19 65.84 Favored 'Trans proline' 0 N--CA 1.492 1.406 0 C-N-CA 122.123 1.882 . . . . 0.0 112.373 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -118.96 132.07 56.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.322 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 58.3 t -111.99 105.01 56.47 Favored Pre-proline 0 CA--C 1.537 0.478 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.73 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -72.92 -34.4 6.62 Favored 'Trans proline' 0 N--CA 1.493 1.479 0 C-N-CA 121.436 1.424 . . . . 0.0 113.028 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -44.75 107.65 0.65 Allowed Pre-proline 0 CA--C 1.538 0.501 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.449 -178.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -52.49 178.52 0.04 OUTLIER 'Trans proline' 0 N--CA 1.496 1.631 0 C-N-CA 122.211 1.941 . . . . 0.0 112.488 179.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.424 ' OE2' ' NH2' ' A' ' 41' ' ' ARG . 99.9 mt-10 -59.22 -13.66 8.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.263 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -48.01 -32.04 6.1 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.389 -179.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.1 t -60.83 -47.95 91.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.642 179.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 58.4 t -64.0 -39.88 87.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.29 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.8 mmm-85 -59.35 -42.9 92.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.497 -179.165 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.8 mmt85 -66.98 -38.7 86.53 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.573 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 95.8 mtp -62.09 -36.01 80.42 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.404 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.0 mp -73.37 -40.92 64.0 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.156 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -63.62 -46.2 86.81 Favored 'General case' 0 CA--C 1.521 -0.163 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -178.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.2 pt -68.17 -37.73 78.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.904 0.383 . . . . 0.0 110.961 -178.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.23 -13.1 57.51 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.342 -179.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.5 tptt 70.81 60.42 0.19 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.18 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 86.6 t -96.07 114.62 33.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.027 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.6 t -113.52 171.27 7.67 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.563 179.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 17.9 pm0 -60.4 -19.87 57.58 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.596 -179.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -97.45 -0.1 46.73 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.284 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -106.02 137.57 43.71 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.878 0.371 . . . . 0.0 111.523 -179.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.42 ' CD1' ' C ' ' A' ' 31' ' ' ILE . 1.1 pp -87.04 155.09 3.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.642 179.687 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 96.4 t -124.32 118.88 55.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.245 179.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.429 ' OH ' ' OE2' ' A' ' 95' ' ' GLU . 10.5 m-30 -114.76 113.75 24.68 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 176.615 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -127.33 141.7 51.63 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.966 -179.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.4 mp -104.56 4.02 32.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.8 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.468 ' O ' ' O ' ' A' ' 37' ' ' CYS . . . -97.33 13.9 64.03 Favored Glycine 0 CA--C 1.527 0.816 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.274 -178.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.468 ' O ' ' O ' ' A' ' 36' ' ' GLY . 2.2 p -52.36 -110.65 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 117.257 0.529 . . . . 0.0 111.194 -179.609 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.16 12.19 84.28 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.196 -1.161 . . . . 0.0 110.196 -179.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.48 ' OD1' ' ND2' ' A' ' 71' ' ' ASN . 64.7 t0 -175.36 -27.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.162 0.506 . . . . 0.0 109.722 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.1 -4.38 82.96 Favored Glycine 0 C--O 1.218 -0.894 0 N-CA-C 110.751 -0.939 . . . . 0.0 110.751 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.424 ' NH2' ' OE2' ' A' ' 14' ' ' GLU . 61.3 ttm-85 -58.73 -36.61 74.58 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.204 0.526 . . . . 0.0 110.078 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.456 ' CG2' ' N ' ' A' ' 43' ' ' ILE . 18.7 tt -62.78 -44.57 99.61 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.653 -179.553 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.456 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 39.5 pt -88.06 -29.1 5.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -179.233 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 56.4 mt -61.05 -40.76 86.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 111.58 0.215 . . . . 0.0 111.58 179.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 93.8 m -64.48 -27.48 69.01 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.162 0.506 . . . . 0.0 110.131 179.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.556 ' O ' ' N ' ' A' ' 50' ' ' PHE . . . -71.89 -68.03 0.49 Allowed 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.903 179.411 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.75 -38.68 78.96 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.584 -178.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -62.96 -46.16 89.04 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.494 -179.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -106.74 -50.99 3.01 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -178.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.556 ' N ' ' O ' ' A' ' 46' ' ' ALA . 33.8 m-85 -72.84 -7.7 52.02 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.715 -178.374 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 58.6 t30 50.24 34.24 8.46 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.264 179.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 10.7 m -45.2 166.35 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 CA-C-O 121.293 0.568 . . . . 0.0 111.154 -178.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -80.73 -50.91 9.27 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.168 -0.923 . . . . 0.0 109.376 178.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -143.35 116.39 8.88 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.169 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -111.67 125.26 53.76 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 63.0 t -133.82 135.6 55.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.566 -179.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -105.99 131.72 10.78 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 178.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 77.2 t -106.41 120.06 56.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.906 0.384 . . . . 0.0 110.366 -179.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.437 ' OE2' ' OD1' ' A' ' 61' ' ' ASN . 88.4 tt0 -175.68 152.51 1.3 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.707 179.622 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.427 ' O ' ' CG2' ' A' ' 60' ' ' ILE . 20.5 tt -134.73 118.63 26.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 178.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.437 ' OD1' ' OE2' ' A' ' 59' ' ' GLU . 23.4 m120 -149.64 -176.12 5.28 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -108.96 -68.45 0.92 Allowed 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.839 -0.344 . . . . 0.0 111.159 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -70.47 -38.44 74.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.887 -179.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 85.0 mtp180 -80.34 -7.6 59.14 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.46 -178.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.428 ' CG2' ' N ' ' A' ' 66' ' ' ARG . 4.4 tp -64.89 -37.99 81.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 120.486 -0.486 . . . . 0.0 111.245 -179.081 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.428 ' N ' ' CG2' ' A' ' 65' ' ' ILE . 36.7 ptt85 -82.31 -27.31 32.35 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 -179.487 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.424 ' O ' ' ND2' ' A' ' 71' ' ' ASN . 14.6 mm-40 -60.96 -47.51 86.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.558 -179.563 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.12 -40.77 95.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.68 0.276 . . . . 0.0 111.482 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 63.0 mt -62.28 -41.8 98.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.016 0.436 . . . . 0.0 110.433 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.49 -39.69 94.31 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.804 -179.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.48 ' ND2' ' OD1' ' A' ' 39' ' ' ASP . 67.7 m-80 -60.64 -44.42 96.41 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.107 -0.637 . . . . 0.0 110.689 -178.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.5 mp -53.1 -50.0 47.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.401 -179.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -64.64 -42.37 95.49 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.507 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -57.16 -39.37 75.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.372 -178.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -92.44 3.26 55.83 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.337 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 49.82 44.0 39.4 Favored Glycine 0 CA--C 1.523 0.587 0 C-N-CA 121.104 -0.57 . . . . 0.0 112.204 177.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.1 m -104.34 11.54 8.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.029 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.63 122.43 9.83 Favored 'General case' 0 CA--C 1.52 -0.177 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.923 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 112.64 -10.87 25.72 Favored Glycine 0 CA--C 1.519 0.328 0 N-CA-C 110.106 -1.198 . . . . 0.0 110.106 -179.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 65.5 mtt180 -129.86 -25.11 2.6 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 178.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -125.83 134.35 51.68 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.941 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 97.6 p -151.12 167.7 26.94 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.891 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.97 137.29 57.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.682 179.55 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 83.6 t -120.4 126.42 75.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.201 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 17.2 ptmt -99.77 157.25 16.63 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.692 179.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 137.61 -158.97 24.76 Favored Glycine 0 CA--C 1.521 0.467 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -102.13 132.48 47.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.186 0.517 . . . . 0.0 111.416 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -55.14 -40.16 70.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.94 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -59.42 -48.57 81.13 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -64.66 -39.87 94.45 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.904 179.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 88.0 t -71.12 131.65 34.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.206 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -103.74 130.19 51.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.358 179.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 39.5 pt -119.77 19.06 6.34 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.2 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.472 ' CB ' ' O ' ' A' ' 118' ' ' GLU . 91.7 p -60.62 -32.67 71.81 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.264 -179.494 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.429 ' OE2' ' OH ' ' A' ' 33' ' ' TYR . 24.3 pt-20 -73.24 -18.72 61.2 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.24 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.65 133.73 48.89 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.637 -178.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.513 ' OG1' ' NH2' ' A' ' 124' ' ' ARG . 15.2 t -95.36 -32.14 13.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.262 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 71.7 t -123.48 126.61 73.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.996 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 61.8 t -137.22 145.8 29.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.058 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 67.5 p -129.48 156.89 43.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.707 179.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 99.5 mtp -126.36 136.72 53.06 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.878 0.371 . . . . 0.0 110.872 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -153.42 91.12 1.47 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.408 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.47 ' O ' ' CG2' ' A' ' 107' ' ' VAL . 88.1 mt -123.05 135.26 54.36 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.405 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.492 ' N ' ' CD1' ' A' ' 104' ' ' LEU . 8.1 mp -64.27 -40.2 95.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.553 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 61.0 p -134.9 161.8 34.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.861 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 54.58 38.66 30.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.05 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.47 ' CG2' ' O ' ' A' ' 103' ' ' LEU . 58.2 t -62.98 -44.43 99.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.952 0.406 . . . . 0.0 110.424 179.531 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.535 ' ND2' ' O ' ' A' ' 131' ' ' GLU . 52.7 p30 -152.2 -161.83 1.39 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.481 -179.591 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.524 ' CB ' ' O ' ' A' ' 108' ' ' ASN . 37.8 tt0 95.46 -21.65 0.05 Allowed 'General case' 0 N--CA 1.468 0.444 0 O-C-N 124.069 0.855 . . . . 0.0 110.302 -179.77 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.42 ' O ' ' O ' ' A' ' 111' ' ' LEU . 79.0 mtm -92.29 -5.28 52.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.079 -0.509 . . . . 0.0 109.683 179.077 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.42 ' O ' ' O ' ' A' ' 110' ' ' MET . 85.6 mt 60.24 137.99 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.103 -179.192 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -132.42 70.9 79.66 Favored Pre-proline 0 CA--C 1.533 0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.564 -179.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -71.46 -13.46 30.35 Favored 'Trans proline' 0 N--CA 1.496 1.631 0 C-N-CA 122.465 2.11 . . . . 0.0 111.951 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -60.59 -23.57 64.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.776 -179.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 95.9 mt -61.35 -34.13 74.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.041 0.448 . . . . 0.0 110.02 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.518 ' OE2' ' CD2' ' A' ' 160' ' ' HIS . 96.6 mt-10 -64.04 -23.53 67.36 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.374 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.454 ' C ' ' CD ' ' A' ' 117' ' ' LYS . 0.0 OUTLIER -99.0 -44.72 6.21 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.632 -179.458 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.472 ' O ' ' CB ' ' A' ' 94' ' ' SER . 80.5 mm-40 -68.72 -52.36 31.59 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.763 -179.662 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 87.1 mt -87.58 130.31 34.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.687 -179.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -71.92 153.3 92.97 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.012 179.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -56.55 138.9 86.37 Favored 'Trans proline' 0 C--N 1.312 -1.395 0 C-N-CA 121.706 1.604 . . . . 0.0 111.999 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 102.13 -5.84 53.21 Favored Glycine 0 CA--C 1.522 0.488 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 6.9 m -72.79 143.29 47.97 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 178.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.513 ' NH2' ' OG1' ' A' ' 97' ' ' THR . 2.8 mpt_? -97.78 129.91 44.76 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.861 0.362 . . . . 0.0 110.744 -179.7 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 58.6 t -123.44 127.88 74.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.041 179.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 56.4 t -120.39 122.83 69.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.424 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 50.8 m -92.06 163.44 13.97 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.326 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . 0.494 ' CG ' ' N ' ' A' ' 129' ' ' GLU . 21.0 t-160 -74.45 -103.92 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.545 -179.464 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.494 ' N ' ' CG ' ' A' ' 128' ' ' HIS . 52.8 tp10 -103.32 -34.42 8.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.002 -179.494 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -80.09 139.88 36.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.047 0.451 . . . . 0.0 111.335 -178.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.535 ' O ' ' ND2' ' A' ' 108' ' ' ASN . 24.5 pt-20 -84.4 161.83 20.21 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.425 179.651 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 72.1 mt -92.86 119.15 40.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -77.2 140.75 40.22 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 89.5 -23.46 19.05 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 12.5 m0 -104.71 147.13 28.01 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.978 0.418 . . . . 0.0 110.808 -179.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . 0.528 ' O ' ' CE1' ' A' ' 155' ' ' TYR . 37.9 t-20 -100.75 114.99 65.85 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.82 179.592 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -71.09 149.32 58.22 Favored 'Trans proline' 0 N--CA 1.496 1.64 0 C-N-CA 121.607 1.538 . . . . 0.0 112.314 -179.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -87.29 -57.78 2.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.364 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 54.1 tt0 -129.32 128.4 43.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.652 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 1.4 p -142.08 131.75 23.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.953 0.406 . . . . 0.0 110.858 179.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 23.0 pt -138.81 167.3 21.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.516 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 8.6 mtmm -118.07 150.81 38.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.246 179.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 62.4 t -125.71 129.16 72.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.696 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . 0.414 ' N ' ' OE1' ' A' ' 144' ' ' GLU . 43.9 mp0 -112.04 115.27 28.64 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 179.521 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -134.43 98.75 4.17 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.886 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 96.71 -120.56 6.71 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -114.56 16.19 17.64 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.608 0.242 . . . . 0.0 110.42 179.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 63.9 mtt -140.95 158.72 43.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.279 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 49.9 p30 -127.86 165.86 19.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.173 0.511 . . . . 0.0 110.758 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -139.27 151.09 46.19 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.284 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.419 ' O ' ' O ' ' A' ' 128' ' ' HIS . 63.8 m -126.13 140.95 52.16 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 90.1 t -130.8 131.89 64.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.657 0.265 . . . . 0.0 110.802 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -106.81 132.88 52.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.359 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 66.7 tp -117.0 127.71 54.45 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.531 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . 0.528 ' CE1' ' O ' ' A' ' 136' ' ' ASN . 77.1 t80 -147.26 137.6 23.33 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 119.805 -0.758 . . . . 0.0 111.799 -179.786 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 88.1 t -96.6 137.3 24.77 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.422 -179.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' ILE . . . . . 0.444 ' CG2' ' N ' ' A' ' 158' ' ' GLY . 51.1 mm -68.53 162.57 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.577 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . 0.444 ' N ' ' CG2' ' A' ' 157' ' ' ILE . . . 113.39 -24.64 12.1 Favored Glycine 0 CA--C 1.522 0.499 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . 0.435 ' C ' ' OH ' ' A' ' 155' ' ' TYR . 98.9 mt-10 -138.67 166.75 23.55 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 179.444 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . 0.626 ' HD1' ' H ' ' A' ' 161' ' ' LYS . 31.7 p80 -165.19 -132.96 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.241 -0.583 . . . . 0.0 110.654 179.726 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . 0.626 ' H ' ' HD1' ' A' ' 160' ' ' HIS . 34.7 ttmt -45.53 144.96 1.38 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.589 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.791 -179.472 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.3 mtt . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.3 p -64.18 -21.81 66.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.921 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -82.67 133.09 35.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.732 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.406 ' CG2' ' O ' ' A' ' 4' ' ' VAL . 33.7 m -133.03 71.49 77.68 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.89 179.656 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_exo -54.28 -42.2 69.57 Favored 'Trans proline' 0 N--CA 1.497 1.716 0 C-N-CA 122.427 2.085 . . . . 0.0 112.457 -179.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -135.24 42.21 2.75 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.194 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.7 t 48.62 72.06 1.39 Allowed Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 179.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -55.76 142.87 82.5 Favored 'Trans proline' 0 C--N 1.302 -1.902 0 C-N-CA 123.199 2.599 . . . . 0.0 112.206 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -62.08 130.95 47.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.971 -179.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 51.1 t -136.59 102.83 9.45 Favored Pre-proline 0 CA--C 1.536 0.43 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.827 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -78.55 148.86 23.56 Favored 'Trans proline' 0 N--CA 1.492 1.433 0 C-N-CA 121.733 1.622 . . . . 0.0 111.737 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 56.9 p -66.23 151.75 95.23 Favored Pre-proline 0 CA--C 1.534 0.327 0 CA-C-N 116.767 -0.197 . . . . 0.0 110.737 -179.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -71.3 164.4 35.85 Favored 'Trans proline' 0 N--CA 1.496 1.632 0 C-N-CA 122.53 2.153 . . . . 0.0 112.565 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 54.8 mp0 -67.31 -17.84 64.93 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.954 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -59.79 -29.55 68.29 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.464 -0.495 . . . . 0.0 109.821 -179.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 79.0 t -65.67 -44.15 93.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.237 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.4 m -70.77 -25.92 27.15 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 C-N-CA 119.967 -0.693 . . . . 0.0 110.393 -179.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.46 ' NH2' ' OD2' ' A' ' 49' ' ' ASP . 10.0 mmm180 -61.59 -40.75 95.9 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.015 179.28 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.9 mmt180 -69.6 -40.17 76.82 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.834 -0.346 . . . . 0.0 111.713 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 74.4 mtm -63.44 -35.04 79.11 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.223 0.535 . . . . 0.0 110.351 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 84.1 mt -70.77 -40.95 72.33 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.465 -0.789 . . . . 0.0 112.036 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -65.89 -44.32 85.65 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -178.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.2 pt -67.35 -34.54 69.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.85 -178.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.04 -10.55 59.04 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.541 -179.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.6 tptm 69.5 49.97 0.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.132 0.491 . . . . 0.0 110.547 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.408 ' CG1' ' OD2' ' A' ' 30' ' ' ASP . 65.6 t -85.17 116.39 28.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.946 -179.604 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.453 ' OG ' ' OD1' ' A' ' 29' ' ' ASP . 80.5 p -116.55 170.33 8.65 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.665 179.503 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -59.85 -21.05 60.43 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.76 -178.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.453 ' OD1' ' OG ' ' A' ' 27' ' ' SER . 44.8 p30 -100.25 10.65 40.92 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.431 -179.594 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.438 ' OD1' ' CG2' ' A' ' 97' ' ' THR . 0.0 OUTLIER -113.83 136.27 53.05 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.934 0.397 . . . . 0.0 111.294 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.408 ' CD1' ' C ' ' A' ' 31' ' ' ILE . 1.1 pp -88.29 156.61 3.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.583 179.608 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 86.7 t -127.31 118.23 49.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.479 179.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.421 ' OH ' ' OE2' ' A' ' 95' ' ' GLU . 10.4 m-30 -112.66 105.26 13.39 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 176.693 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -111.77 134.58 53.24 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.019 0.438 . . . . 0.0 111.297 -179.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 97.0 mt -88.24 -8.07 55.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.666 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -108.18 69.42 0.21 Allowed Glycine 0 CA--C 1.528 0.901 0 C-N-CA 121.183 -0.532 . . . . 0.0 113.06 -178.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.629 ' HG ' ' H ' ' A' ' 40' ' ' GLY . 11.1 t -89.11 -101.21 0.09 Allowed 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 178.223 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.59 ' N ' ' SG ' ' A' ' 37' ' ' CYS . . . 77.65 6.75 87.09 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.061 -0.815 . . . . 0.0 111.061 179.163 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.458 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 66.8 t0 -177.07 -25.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.043 0.449 . . . . 0.0 109.895 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.629 ' H ' ' HG ' ' A' ' 37' ' ' CYS . . . 90.02 -7.01 82.44 Favored Glycine 0 C--O 1.216 -0.999 0 N-CA-C 110.173 -1.171 . . . . 0.0 110.173 -179.576 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 50.0 ttm-85 -57.46 -26.8 61.76 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.178 0.513 . . . . 0.0 110.023 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 20.1 tt -69.88 -42.97 79.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.262 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 26.3 pt -91.35 -30.06 4.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -179.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 73.6 mt -61.71 -43.1 96.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 111.694 0.257 . . . . 0.0 111.694 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 65.9 m -63.51 -22.5 66.93 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.346 0.593 . . . . 0.0 109.553 179.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.575 ' O ' ' N ' ' A' ' 50' ' ' PHE . . . -74.59 -66.38 0.75 Allowed 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.701 179.101 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.36 -38.69 81.08 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.643 -178.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -62.42 -46.91 86.42 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.589 -0.445 . . . . 0.0 111.223 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.46 ' OD2' ' NH2' ' A' ' 18' ' ' ARG . 64.6 t0 -105.94 -52.1 2.87 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 -178.357 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.575 ' N ' ' O ' ' A' ' 46' ' ' ALA . 45.3 m-85 -72.67 -6.47 44.63 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.087 0.402 . . . . 0.0 112.087 -178.241 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 57.7 t30 50.26 33.93 8.05 Favored 'General case' 0 C--N 1.332 -0.181 0 O-C-N 122.119 -0.363 . . . . 0.0 111.82 178.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.0 m -54.07 128.94 14.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.284 0.564 . . . . 0.0 111.189 -178.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -46.73 -47.11 20.64 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.907 -178.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -142.93 126.82 17.21 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.651 -0.419 . . . . 0.0 110.155 178.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 80' ' ' ARG . . . -119.64 123.96 45.14 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 179.285 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 68.0 t -131.93 135.64 58.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.002 -179.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -118.52 139.46 14.55 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.446 -1.062 . . . . 0.0 110.446 179.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 93.3 t -108.79 126.75 65.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -172.42 148.63 2.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.368 -179.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.435 ' O ' ' ND2' ' A' ' 61' ' ' ASN . 19.7 tt -135.52 117.01 19.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.979 179.1 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.435 ' ND2' ' O ' ' A' ' 60' ' ' ILE . 29.8 m120 -149.65 -178.61 6.54 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -108.83 -68.19 0.93 Allowed 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.626 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -70.17 -38.87 75.51 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.919 0.39 . . . . 0.0 111.954 -179.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 -80.69 -7.37 59.3 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.766 -178.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.457 ' CG2' ' N ' ' A' ' 66' ' ' ARG . 13.2 tt -63.5 -38.83 83.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 C-N-CA 120.231 -0.588 . . . . 0.0 111.204 -178.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.457 ' N ' ' CG2' ' A' ' 65' ' ' ILE . 40.3 ptt85 -82.31 -27.94 31.98 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.103 -179.229 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.99 -47.68 85.34 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.013 -179.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.81 -40.32 94.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.7 0.286 . . . . 0.0 111.657 -179.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 24.4 mt -61.77 -41.19 97.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.066 0.46 . . . . 0.0 110.067 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.61 -38.78 92.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.044 -179.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.436 ' OD1' ' OD1' ' A' ' 75' ' ' ASN . 64.9 t-20 -58.88 -43.43 90.93 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.728 -0.389 . . . . 0.0 111.02 -178.414 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 69.6 mt -57.31 -46.08 85.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 C-N-CA 120.839 -0.344 . . . . 0.0 111.169 -178.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.36 -41.44 98.61 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.063 -0.655 . . . . 0.0 109.407 179.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.4 tptp -56.21 -38.43 71.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.213 -179.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.436 ' OD1' ' OD1' ' A' ' 71' ' ' ASN . 33.6 m120 -93.76 3.95 54.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.539 -179.683 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 48.6 42.37 27.37 Favored Glycine 0 CA--C 1.525 0.661 0 C-N-CA 120.826 -0.702 . . . . 0.0 111.704 178.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 6.9 m -110.61 16.23 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 121.098 -0.241 . . . . 0.0 111.539 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.3 p -46.49 163.34 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 120.366 -0.533 . . . . 0.0 110.87 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 77.31 -37.05 1.55 Allowed Glycine 0 CA--C 1.523 0.576 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.323 178.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 55' ' ' ALA . 56.8 mtt-85 -96.21 -24.06 16.42 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -119.92 130.18 54.69 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.577 -179.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 89.6 p -145.81 163.61 34.49 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.093 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -130.43 139.9 50.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.305 179.669 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 96.3 t -124.58 128.8 73.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.62 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.4 ptmm? -99.03 154.73 17.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.804 0.335 . . . . 0.0 110.288 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 128.58 -161.94 22.24 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 109.908 -1.277 . . . . 0.0 109.908 -179.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -95.9 124.7 40.02 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.296 -0.562 . . . . 0.0 110.42 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.432 ' CE1' ' CE1' ' A' ' 89' ' ' PHE . 20.6 p90 -49.7 -19.05 0.55 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.172 -179.088 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.432 ' CE1' ' CE1' ' A' ' 88' ' ' PHE . 42.4 m-85 -66.02 -41.81 90.47 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.493 -0.483 . . . . 0.0 109.948 178.705 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -67.08 -39.41 86.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.149 179.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 86.3 t -70.91 130.13 34.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.141 -179.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.446 ' OD1' ' O ' ' A' ' 92' ' ' ASP . 49.9 p-10 -94.16 132.1 39.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.314 179.32 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 35.8 pt -122.17 12.43 5.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.67 -179.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.431 ' CB ' ' O ' ' A' ' 118' ' ' GLU . 47.3 t -58.02 -37.59 74.62 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.736 -0.386 . . . . 0.0 111.432 -178.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.421 ' OE2' ' OH ' ' A' ' 33' ' ' TYR . 24.6 pt-20 -70.93 -18.01 62.66 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.707 -179.388 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.2 134.48 52.8 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.645 -0.422 . . . . 0.0 111.33 -178.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.438 ' CG2' ' OD1' ' A' ' 30' ' ' ASP . 11.6 t -94.37 -32.74 13.45 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.17 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 55.0 t -127.51 128.72 70.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.391 179.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 28.6 m -138.16 156.28 30.49 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 CA-C-O 120.869 0.366 . . . . 0.0 110.482 178.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 57.9 p -132.91 159.25 40.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.777 179.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.0 mmt -128.29 137.81 52.13 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.941 0.401 . . . . 0.0 110.768 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 93.4 t80 -153.38 84.2 1.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.352 179.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 89.2 mt -124.79 148.64 48.03 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.652 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -62.67 155.17 27.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.159 179.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 12.3 t -41.28 133.54 2.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.609 -179.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -159.91 166.8 29.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.421 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.474 ' CG2' ' H ' ' A' ' 108' ' ' ASN . 0.9 OUTLIER -59.71 -89.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.59 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.474 ' H ' ' CG2' ' A' ' 107' ' ' VAL . 83.1 m-20 51.55 45.14 28.52 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.643 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -59.25 -24.19 63.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.639 -179.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 66.8 mtt -84.03 -15.04 49.06 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 179.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 71.1 mt 56.06 24.31 7.7 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.611 179.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 63.7 mttp 50.51 76.83 0.5 Allowed Pre-proline 0 CA--C 1.532 0.274 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.815 178.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -73.94 -8.79 21.65 Favored 'Trans proline' 0 N--CA 1.493 1.495 0 C-N-CA 122.36 2.04 . . . . 0.0 111.688 -179.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -58.17 -14.11 6.32 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.84 -179.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 96.1 mt -60.17 -36.94 78.72 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -65.24 -22.58 66.89 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.419 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -93.69 -44.22 8.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.431 ' O ' ' CB ' ' A' ' 94' ' ' SER . 79.7 mm-40 -73.95 -51.47 15.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.786 -178.682 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 88.7 mt -84.47 133.75 34.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.505 -179.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -76.07 152.66 84.41 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.177 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -52.32 136.35 55.1 Favored 'Trans proline' 0 N--CA 1.493 1.494 0 C-N-CA 121.512 1.475 . . . . 0.0 112.135 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 102.94 -7.93 53.44 Favored Glycine 0 CA--C 1.521 0.45 0 N-CA-C 111.488 -0.645 . . . . 0.0 111.488 179.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 15.8 m -66.56 144.79 56.23 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 178.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 -97.69 124.51 42.04 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 -179.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 62.6 t -121.66 126.69 75.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.845 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 57.8 t -120.52 121.95 66.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.422 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 64.8 m -98.15 159.6 14.84 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.669 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . 0.544 ' CG ' ' N ' ' A' ' 129' ' ' GLU . 84.0 t60 -64.98 -104.21 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.384 -179.14 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.544 ' N ' ' CG ' ' A' ' 128' ' ' HIS . 87.8 tt0 -106.68 -25.5 11.73 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -179.286 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -76.76 140.09 40.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.025 0.44 . . . . 0.0 111.406 -179.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -91.74 142.33 27.71 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.225 179.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 65.4 mt -74.56 111.96 11.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.219 -179.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 79.5 ttt-85 -76.94 142.2 40.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.938 179.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 90.17 -22.55 25.7 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . 0.533 ' CZ3' ' CE2' ' A' ' 155' ' ' TYR . 23.2 m0 -102.68 -171.93 2.04 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -138.28 115.43 9.19 Favored Pre-proline 0 CA--C 1.536 0.405 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 178.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -72.69 150.82 51.17 Favored 'Trans proline' 0 N--CA 1.491 1.366 0 C-N-CA 121.466 1.444 . . . . 0.0 112.129 -179.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 17.5 tptp -84.38 -50.21 8.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.859 0.361 . . . . 0.0 110.425 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -135.23 129.68 34.04 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.498 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 64.1 t -128.65 124.11 60.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.356 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 21.4 pt -141.71 163.5 19.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 C-N-CA 120.481 -0.487 . . . . 0.0 111.395 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt -118.33 151.8 37.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.868 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 57.4 t -125.18 128.68 73.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.365 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . 0.415 ' N ' ' OE1' ' A' ' 144' ' ' GLU . 40.8 mp0 -114.14 121.23 43.14 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.521 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -139.75 98.98 3.59 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 96.84 -119.6 6.41 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -117.03 17.52 14.88 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.705 0.288 . . . . 0.0 110.581 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 74.4 mtm -139.84 157.35 45.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.187 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 51.8 p30 -128.99 165.84 20.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.282 0.563 . . . . 0.0 110.844 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -138.06 151.83 48.22 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.692 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.435 ' O ' ' O ' ' A' ' 128' ' ' HIS . 26.1 m -125.64 141.68 51.9 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.654 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 99.1 t -131.14 135.49 59.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.909 0.385 . . . . 0.0 111.209 -179.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -110.85 131.68 54.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.291 179.113 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 69.1 tp -110.0 136.62 48.98 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . 0.572 ' CG ' ' N ' ' A' ' 156' ' ' VAL . 88.6 t80 -139.25 172.16 13.24 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.291 -179.36 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . 0.572 ' N ' ' CG ' ' A' ' 155' ' ' TYR . 6.8 p -142.95 132.1 21.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.018 179.559 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' ILE . . . . . . . . . . . . . 43.9 mm -74.25 138.88 20.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.535 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 123.46 -40.55 1.95 Allowed Glycine 0 CA--C 1.52 0.395 0 N-CA-C 110.724 -0.95 . . . . 0.0 110.724 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . 0.442 ' O ' ' OH ' ' A' ' 155' ' ' TYR . 99.5 mt-10 -133.92 131.35 38.96 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 179.277 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . 0.511 ' O ' ' C ' ' A' ' 161' ' ' LYS . 33.1 p80 -123.8 -151.6 0.48 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.273 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . 0.511 ' C ' ' O ' ' A' ' 160' ' ' HIS . 22.1 mtpp 15.05 -96.54 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.596 0 O-C-N 123.83 0.706 . . . . 0.0 112.239 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.945 -1.026 . . . . 0.0 110.498 179.78 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.5 mmt . . . . . 0 N--CA 1.489 1.479 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t 71.15 40.95 0.82 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -101.2 8.54 42.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.511 179.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.0 t 52.6 56.93 15.25 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.615 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -70.86 153.15 64.02 Favored 'Trans proline' 0 C--N 1.306 -1.685 0 C-N-CA 122.795 2.33 . . . . 0.0 112.144 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -73.63 135.69 43.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.476 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.9 m -136.77 155.64 76.47 Favored Pre-proline 0 CA--C 1.533 0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.306 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -53.28 141.35 60.18 Favored 'Trans proline' 0 N--CA 1.497 1.73 0 C-N-CA 121.565 1.51 . . . . 0.0 111.856 179.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -88.09 128.32 35.42 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.366 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.5 p -139.28 103.73 7.24 Favored Pre-proline 0 CA--C 1.537 0.454 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.492 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -77.78 -69.46 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.194 0 C-N-CA 121.559 1.506 . . . . 0.0 112.325 -179.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.478 ' CG2' ' NE2' ' A' ' 150' ' ' HIS . 78.5 p -70.8 152.01 95.16 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.829 -179.64 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.39 167.49 26.16 Favored 'Trans proline' 0 N--CA 1.494 1.556 0 C-N-CA 122.316 2.011 . . . . 0.0 112.367 179.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -59.1 -14.59 10.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.601 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 43.8 tptt -55.52 -31.77 62.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.736 -179.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.0 t -60.38 -45.19 96.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.045 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.1 t -63.17 -38.81 83.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.125 178.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.8 mmm-85 -59.59 -40.19 86.65 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.857 -179.212 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.8 mmt180 -69.37 -39.24 78.17 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 120.535 -0.466 . . . . 0.0 111.928 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 76.5 mtm -65.17 -33.56 76.31 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.931 0.396 . . . . 0.0 110.457 -179.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 86.3 mt -69.98 -40.34 75.4 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.87 179.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -63.77 -43.78 95.34 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.0 0.429 . . . . 0.0 111.923 -179.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.412 ' C ' ' H ' ' A' ' 25' ' ' LYS . 38.2 pt -72.41 -30.2 33.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.27 -178.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.12 29.56 0.41 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.563 -179.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.412 ' H ' ' C ' ' A' ' 23' ' ' ILE . 72.5 mmtt 33.46 54.0 0.46 Allowed 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.95 177.724 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 64.9 t -86.47 109.05 18.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.148 0.499 . . . . 0.0 110.657 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.541 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 94.3 p -113.69 164.76 13.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.802 179.676 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -59.78 -18.08 40.6 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.909 -179.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -97.72 -0.29 45.71 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.929 -0.309 . . . . 0.0 111.235 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -112.21 148.77 33.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.587 -179.823 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.7 pp -98.74 162.12 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.576 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 96.7 t -127.14 122.45 60.05 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.155 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.99 179.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.452 ' OH ' ' OE2' ' A' ' 95' ' ' GLU . 2.2 m-30 -115.42 99.81 7.64 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 178.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -94.64 120.0 34.18 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.176 0.512 . . . . 0.0 110.332 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.452 ' O ' ' O ' ' A' ' 58' ' ' VAL . 92.0 mt -64.3 -34.9 79.2 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.956 0.724 . . . . 0.0 112.956 -178.261 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -134.68 85.85 0.26 Allowed Glycine 0 N--CA 1.47 0.944 0 C-N-CA 120.363 -0.922 . . . . 0.0 112.401 -179.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.503 ' SG ' ' N ' ' A' ' 38' ' ' GLY . 21.4 p -70.22 -57.66 4.65 Favored 'General case' 0 C--O 1.232 0.162 0 O-C-N 122.694 -0.297 . . . . 0.0 111.094 179.404 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.503 ' N ' ' SG ' ' A' ' 37' ' ' CYS . . . 81.18 5.03 90.37 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.032 179.37 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 0.6 OUTLIER 167.1 -10.56 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 117.04 0.42 . . . . 0.0 111.369 179.615 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 91.72 -7.03 79.88 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.788 -0.525 . . . . 0.0 111.788 179.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.8 mmt85 -60.36 -16.6 36.77 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 117.394 0.597 . . . . 0.0 111.087 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.464 ' CG2' ' N ' ' A' ' 43' ' ' ILE . 13.7 tt -78.59 -41.89 25.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.707 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.464 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 37.2 pt -92.48 -29.91 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.722 -179.051 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.436 ' CD1' ' CG ' ' A' ' 71' ' ' ASN . 73.2 mt -61.77 -42.81 95.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.572 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 87.9 m -66.87 -22.11 65.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.229 0.538 . . . . 0.0 109.632 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.58 ' O ' ' N ' ' A' ' 50' ' ' PHE . . . -74.37 -67.05 0.66 Allowed 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.849 178.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.91 -37.86 80.66 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.467 -179.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -63.58 -45.28 91.16 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.08 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -107.16 -53.77 2.57 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 -178.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.58 ' N ' ' O ' ' A' ' 46' ' ' ALA . 53.6 m-85 -71.52 -6.53 41.28 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -178.64 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 57.9 t30 50.74 32.94 7.61 Favored 'General case' 0 C--N 1.332 -0.174 0 O-C-N 122.012 -0.43 . . . . 0.0 111.747 178.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.9 m -53.72 128.93 14.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.304 0.573 . . . . 0.0 111.235 -179.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -48.06 -46.72 33.78 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.397 -178.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.4 ttpt -141.54 132.01 25.31 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.02 179.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 80' ' ' ARG . . . -129.53 129.13 44.1 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.992 0.425 . . . . 0.0 110.494 -179.621 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 68.4 t -136.41 137.22 48.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.248 -179.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -119.48 129.44 8.04 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 109.814 -1.315 . . . . 0.0 109.814 178.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.452 ' O ' ' O ' ' A' ' 35' ' ' LEU . 61.0 t -95.76 129.15 46.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 120.29 -0.564 . . . . 0.0 109.636 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.459 ' OE1' ' SG ' ' A' ' 37' ' ' CYS . 88.0 tt0 -168.79 144.81 3.52 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.403 -0.519 . . . . 0.0 111.127 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.449 ' CG2' ' O ' ' A' ' 60' ' ' ILE . 19.8 tt -132.48 113.96 22.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 178.631 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -150.52 -175.65 5.18 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 -179.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.506 ' CG ' ' H ' ' A' ' 63' ' ' GLU . 20.7 p-10 -112.36 -69.35 0.87 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.045 179.697 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.506 ' H ' ' CG ' ' A' ' 62' ' ' ASP . 98.8 mt-10 -71.42 -39.58 70.99 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.957 0.408 . . . . 0.0 111.38 179.738 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -77.6 -10.28 59.41 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.875 -178.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.424 ' CG2' ' N ' ' A' ' 66' ' ' ARG . 12.2 tt -64.75 -36.81 78.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 C-N-CA 120.152 -0.619 . . . . 0.0 111.255 -178.509 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.424 ' N ' ' CG2' ' A' ' 65' ' ' ILE . 8.0 ptm180 -83.54 -27.13 29.54 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.087 -179.354 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -61.16 -48.39 81.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.39 -39.56 91.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.614 0.245 . . . . 0.0 111.507 -179.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 25.1 mt -62.33 -41.27 98.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.113 0.482 . . . . 0.0 109.891 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.52 -38.85 92.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.927 -179.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.436 ' CG ' ' CD1' ' A' ' 44' ' ' ILE . 56.4 t-20 -59.36 -44.12 92.75 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.959 -178.179 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 81.7 mt -57.46 -46.05 85.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.909 -178.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.53 -40.83 98.02 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.079 -0.649 . . . . 0.0 109.59 179.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -57.1 -39.45 75.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.1 -179.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.433 ' OD1' ' OD1' ' A' ' 71' ' ' ASN . 31.2 m120 -92.73 4.08 54.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.337 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 48.34 41.2 23.87 Favored Glycine 0 CA--C 1.524 0.626 0 C-N-CA 120.936 -0.65 . . . . 0.0 111.885 177.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 5.0 m -108.72 16.01 7.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.404 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 p -45.29 163.84 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 121.218 0.533 . . . . 0.0 110.767 179.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 76.68 -38.1 1.46 Allowed Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.405 178.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 55' ' ' ALA . 42.2 mtt85 -94.92 -24.67 16.88 Favored 'General case' 0 CA--C 1.516 -0.353 0 C-N-CA 120.416 -0.514 . . . . 0.0 109.808 -179.688 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -121.67 131.95 54.38 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.538 -179.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 89.7 p -147.73 165.86 29.24 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.988 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -129.8 139.02 52.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.554 179.67 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 95.3 t -123.68 128.24 74.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.353 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 9.7 ptmm? -103.4 156.28 17.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.01 179.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 137.55 -158.39 24.49 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -97.21 130.92 44.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.173 0.511 . . . . 0.0 111.17 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -54.9 -34.02 62.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.517 -179.132 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -60.27 -48.97 79.46 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.302 0.572 . . . . 0.0 109.617 178.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -64.75 -39.62 93.93 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.407 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 84.0 t -70.15 129.05 34.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.064 0.459 . . . . 0.0 111.114 -179.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -104.77 131.97 51.57 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.477 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 38.4 pt -117.44 16.53 7.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.188 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.462 ' CB ' ' O ' ' A' ' 118' ' ' GLU . 88.1 p -61.3 -27.27 68.36 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.578 -0.449 . . . . 0.0 111.478 -179.35 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.452 ' OE2' ' OH ' ' A' ' 33' ' ' TYR . 21.2 pt-20 -73.2 -20.22 60.92 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.796 0.331 . . . . 0.0 111.468 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.416 ' HB1' ' CG ' ' A' ' 33' ' ' TYR . . . -74.71 142.64 44.4 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 -178.401 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 14.6 t -100.07 -27.16 13.69 Favored 'General case' 0 CA--C 1.528 0.097 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.172 178.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 68.1 t -131.58 131.34 62.61 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.95 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 75.2 t -132.77 141.66 44.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.694 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 82.5 p -132.38 156.03 47.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.905 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 94.2 mmm -119.75 139.25 52.58 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.738 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -153.87 82.79 1.15 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.884 178.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.445 ' CD2' ' OG1' ' A' ' 105' ' ' THR . 59.4 tp -144.45 136.92 26.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.208 -179.714 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 59.9 tp -60.3 -42.59 95.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.135 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.445 ' OG1' ' CD2' ' A' ' 103' ' ' LEU . 73.0 p -72.7 164.29 26.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.024 0.44 . . . . 0.0 110.769 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 48.7 p30 -82.19 -171.36 3.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.06 -179.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 33.3 m -119.47 164.25 15.99 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.122 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -56.94 129.68 42.65 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.033 0.444 . . . . 0.0 111.042 -179.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.49 -37.97 88.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.187 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 15.7 mmt -89.09 -71.34 0.6 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.671 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 7.6 mp -50.0 120.01 4.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.441 -179.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.56 ' N ' ' CD ' ' A' ' 113' ' ' PRO . 1.4 mmtm 176.19 -43.84 0.0 OUTLIER Pre-proline 0 CA--C 1.533 0.297 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.511 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 112' ' ' LYS . 47.5 Cg_exo -57.4 -19.93 37.9 Favored 'Trans proline' 0 N--CA 1.497 1.69 0 C-N-CA 122.692 2.261 . . . . 0.0 111.876 179.644 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -59.31 -19.21 44.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.76 -179.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 96.5 mt -60.66 -36.17 78.04 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.043 0.449 . . . . 0.0 110.112 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -65.45 -22.07 66.72 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.276 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.513 ' N ' ' CD ' ' A' ' 117' ' ' LYS . 0.8 OUTLIER -93.87 -43.97 8.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.495 179.882 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.462 ' O ' ' CB ' ' A' ' 94' ' ' SER . 79.4 mm-40 -74.73 -52.93 10.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.591 -178.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 86.7 mt -83.43 137.34 33.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.005 0.431 . . . . 0.0 110.605 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 13.5 ptmm? -75.73 156.59 84.66 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.598 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -58.55 137.91 82.88 Favored 'Trans proline' 0 N--CA 1.494 1.55 0 C-N-CA 121.291 1.327 . . . . 0.0 111.427 178.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . 0.404 ' O ' ' NH2' ' A' ' 124' ' ' ARG . . . 98.1 -1.8 59.42 Favored Glycine 0 CA--C 1.522 0.492 0 C-N-CA 120.77 -0.729 . . . . 0.0 111.463 179.592 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 1.9 m -74.93 147.67 40.73 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.404 ' NH2' ' O ' ' A' ' 122' ' ' GLY . 7.7 mmt-85 -99.75 127.17 45.9 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.987 -179.081 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 58.9 t -123.18 128.05 74.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.528 179.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 60.3 t -122.36 124.08 70.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.128 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.433 ' O ' ' O ' ' A' ' 128' ' ' HIS . 41.9 t -97.51 137.74 35.99 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.629 -179.73 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . 0.469 ' ND1' ' N ' ' A' ' 128' ' ' HIS . 0.0 OUTLIER -47.09 -99.67 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.052 -179.58 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -113.3 -23.2 10.04 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.591 0.234 . . . . 0.0 111.466 -179.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.422 ' O ' ' OG ' ' A' ' 127' ' ' SER . 96.5 m-85 -81.83 126.55 31.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.926 0.393 . . . . 0.0 110.931 -179.065 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -82.59 138.6 34.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.659 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 66.7 mt -69.14 118.16 12.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 C-N-CA 120.648 -0.421 . . . . 0.0 109.907 -179.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -78.81 140.65 38.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.791 179.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 89.53 -14.54 61.03 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . 0.509 ' CZ3' ' CE2' ' A' ' 155' ' ' TYR . 10.4 m0 -111.15 155.2 23.23 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.134 0.492 . . . . 0.0 111.677 -179.314 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -105.85 113.54 63.72 Favored Pre-proline 0 CA--C 1.539 0.545 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.108 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -72.8 150.65 50.24 Favored 'Trans proline' 0 N--CA 1.495 1.58 0 C-N-CA 121.787 1.658 . . . . 0.0 112.221 -179.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -87.63 -50.39 6.53 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.917 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 54.9 tt0 -130.44 123.44 29.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.413 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 60.1 t -127.69 127.54 68.55 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.725 -179.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 24.1 pt -140.17 163.03 24.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 121.13 0.49 . . . . 0.0 111.619 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . 0.441 ' CG ' ' OG1' ' A' ' 151' ' ' THR . 5.0 mtmm -122.79 149.45 44.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.312 179.737 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 61.3 t -124.08 127.57 73.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.121 -0.945 . . . . 0.0 108.911 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -107.47 118.61 37.17 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.612 ' C ' ' H ' ' A' ' 147' ' ' ASN . 67.4 m-20 -110.3 154.39 23.54 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 121.598 0.713 . . . . 0.0 111.077 -179.528 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -46.34 2.78 0.01 OUTLIER Glycine 0 CA--C 1.527 0.821 0 CA-C-N 114.071 -1.422 . . . . 0.0 114.444 -178.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . 0.612 ' H ' ' C ' ' A' ' 145' ' ' ASP . 98.6 m-20 -137.2 -49.1 0.61 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 117.905 0.853 . . . . 0.0 110.652 178.324 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 64.6 mtt -145.8 165.54 28.55 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.829 -178.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 17.1 p30 -108.71 159.42 16.76 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 121.25 0.548 . . . . 0.0 110.903 179.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . 0.478 ' NE2' ' CG2' ' A' ' 12' ' ' THR . 84.2 m-70 -140.75 149.44 42.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.225 -179.534 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.441 ' OG1' ' CG ' ' A' ' 142' ' ' LYS . 75.4 m -123.97 139.39 54.0 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.155 -0.684 . . . . 0.0 109.155 179.372 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 59.8 t -131.16 133.71 62.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.781 0.324 . . . . 0.0 110.471 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -106.39 132.28 52.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.916 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 64.3 tp -113.36 130.56 56.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.224 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . 0.509 ' CE2' ' CZ3' ' A' ' 135' ' ' TRP . 84.6 t80 -142.94 131.92 22.96 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.001 0.429 . . . . 0.0 111.684 -179.134 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 99.2 t -99.69 133.16 43.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.581 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' ILE . . . . . . . . . . . . . 46.0 mm -70.0 132.28 33.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.442 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 140.61 -35.86 1.83 Allowed Glycine 0 CA--C 1.527 0.784 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . 0.456 ' O ' ' OH ' ' A' ' 155' ' ' TYR . 99.3 mt-10 -139.94 115.71 10.19 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.051 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . 0.411 ' CD2' ' N ' ' A' ' 161' ' ' LYS . 55.1 p-80 -105.82 -144.7 0.38 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.489 -179.215 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . 0.411 ' N ' ' CD2' ' A' ' 160' ' ' HIS . 32.9 ttmt -36.64 -52.61 0.89 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.039 -178.378 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.052 -0.975 . . . . 0.0 110.668 -179.97 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.5 mtt . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.668 ' HG ' ' H ' ' A' ' 4' ' ' VAL . 46.8 t -151.42 152.2 32.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.702 -179.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -96.4 8.5 43.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.399 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.668 ' H ' ' HG ' ' A' ' 2' ' ' SER . 27.6 m -69.77 155.42 93.52 Favored Pre-proline 0 CA--C 1.535 0.385 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.005 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -51.23 146.06 24.86 Favored 'Trans proline' 0 N--CA 1.497 1.727 0 C-N-CA 121.696 1.597 . . . . 0.0 111.796 179.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 68.9 t60 -162.71 123.22 2.41 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.036 -0.728 . . . . 0.0 109.036 179.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 19.0 t -133.31 77.12 67.03 Favored Pre-proline 0 N--CA 1.464 0.248 0 C-N-CA 120.951 -0.299 . . . . 0.0 111.487 -178.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -82.11 164.4 17.45 Favored 'Trans proline' 0 C--N 1.304 -1.793 0 C-N-CA 123.23 2.62 . . . . 0.0 111.798 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -59.05 137.28 58.01 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.152 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.4 m -134.93 144.31 49.87 Favored Pre-proline 0 C--N 1.327 -0.381 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 178.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -73.32 160.06 45.66 Favored 'Trans proline' 0 N--CA 1.492 1.399 0 C-N-CA 122.12 1.88 . . . . 0.0 111.428 179.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 27.2 m -61.15 132.67 92.5 Favored Pre-proline 0 CA--C 1.538 0.487 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 -179.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -47.33 163.77 0.15 Allowed 'Trans proline' 0 N--CA 1.496 1.621 0 C-N-CA 121.739 1.626 . . . . 0.0 112.763 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -62.15 -12.41 19.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.631 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -52.95 -26.42 15.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.45 -178.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 73.3 t -60.6 -46.42 95.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 120.366 -0.534 . . . . 0.0 109.73 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 54.1 t -64.03 -38.75 83.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.749 179.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.529 HH22 ' CG ' ' A' ' 49' ' ' ASP . 25.3 mmt180 -59.17 -41.32 88.12 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.009 -178.61 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -65.79 -37.05 85.24 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.526 -0.47 . . . . 0.0 111.095 179.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.458 ' CE ' ' OG1' ' A' ' 100' ' ' THR . 95.1 mtp -61.84 -33.97 75.13 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.052 -179.572 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.8 mp -76.8 -40.56 47.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.849 179.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -62.3 -45.1 94.74 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -179.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.0 pt -67.11 -36.94 78.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.665 -179.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.09 -9.61 58.34 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 40.2 mmtm 58.85 34.25 23.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.291 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.3 p -58.98 123.53 11.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.218 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 91.9 p -109.8 166.36 10.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.021 179.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -59.14 -20.11 50.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.855 0.36 . . . . 0.0 110.623 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -97.28 1.05 49.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.194 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -104.8 135.98 45.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.746 0.308 . . . . 0.0 111.233 -179.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.406 ' CD1' ' C ' ' A' ' 31' ' ' ILE . 1.1 pp -85.37 154.44 3.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.419 179.363 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 88.9 t -124.72 117.5 50.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.241 179.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.532 ' CZ ' ' OE2' ' A' ' 95' ' ' GLU . 10.9 m-30 -114.33 120.83 41.72 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 176.475 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -140.51 149.06 42.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.936 0.398 . . . . 0.0 111.085 -179.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -109.47 7.74 24.96 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.574 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.459 ' O ' ' O ' ' A' ' 37' ' ' CYS . . . -94.37 11.24 70.59 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.344 -0.702 . . . . 0.0 111.344 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.585 ' SG ' ' N ' ' A' ' 40' ' ' GLY . 25.4 t -47.77 -103.07 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 121.2 -0.2 . . . . 0.0 111.163 -179.401 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.574 ' N ' ' SG ' ' A' ' 37' ' ' CYS . . . 74.67 10.02 82.84 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.391 -1.084 . . . . 0.0 110.391 -179.552 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 178.25 -21.06 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.805 0.336 . . . . 0.0 110.489 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.585 ' N ' ' SG ' ' A' ' 37' ' ' CYS . . . 89.36 -5.75 83.83 Favored Glycine 0 C--O 1.219 -0.839 0 N-CA-C 111.427 -0.669 . . . . 0.0 111.427 179.593 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -57.67 -35.56 70.73 Favored 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 120.313 -0.555 . . . . 0.0 110.039 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.454 ' CG2' ' N ' ' A' ' 43' ' ' ILE . 17.0 tt -62.02 -44.42 98.93 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.651 -179.101 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.454 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 33.7 pt -89.29 -30.31 5.21 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -179.145 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 71.5 mt -62.03 -41.09 89.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 76.4 m -65.38 -22.41 66.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.056 0.455 . . . . 0.0 110.652 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.554 ' O ' ' N ' ' A' ' 50' ' ' PHE . . . -77.96 -64.03 1.25 Allowed 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.668 179.246 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.41 -38.92 81.85 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.304 -179.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -62.9 -47.19 84.37 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.751 -0.379 . . . . 0.0 111.238 -179.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.529 ' CG ' HH22 ' A' ' 18' ' ' ARG . 30.6 t70 -104.27 -54.02 2.62 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -178.549 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.554 ' N ' ' O ' ' A' ' 46' ' ' ALA . 46.3 m-85 -71.11 -6.66 40.91 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -178.315 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 58.6 t30 49.71 34.67 7.67 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.683 178.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 18.5 m -44.54 167.35 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.498 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -80.14 -50.46 10.27 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.58 179.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.6 tttp -144.76 122.41 11.81 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.116 -0.947 . . . . 0.0 109.442 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 80' ' ' ARG . . . -115.79 125.05 52.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.008 0.432 . . . . 0.0 110.156 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 68.5 t -131.31 133.84 61.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.902 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -112.52 130.83 9.78 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 110.173 -1.171 . . . . 0.0 110.173 179.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 96.3 t -101.32 122.19 53.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 179.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -171.24 147.88 2.57 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.729 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.459 ' CG2' ' O ' ' A' ' 60' ' ' ILE . 20.2 tt -132.64 115.37 24.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 178.671 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.442 ' OD1' ' O ' ' A' ' 60' ' ' ILE . 99.0 m-20 -144.16 176.04 9.62 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -179.706 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -107.21 -73.04 0.7 Allowed 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.046 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.447 ' O ' ' OE1' ' A' ' 67' ' ' GLU . 99.0 mt-10 -70.06 -39.0 75.94 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.819 -179.392 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 85.4 mtp180 -79.04 -7.15 57.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.737 -178.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.463 ' CG2' ' N ' ' A' ' 66' ' ' ARG . 15.0 tt -60.44 -39.02 79.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 C-N-CA 120.486 -0.485 . . . . 0.0 111.358 -178.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.463 ' N ' ' CG2' ' A' ' 65' ' ' ILE . 36.7 ptt180 -78.74 -25.55 44.57 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.399 -179.207 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.447 ' OE1' ' O ' ' A' ' 63' ' ' GLU . 4.4 mp0 -62.06 -51.4 68.1 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.533 -0.467 . . . . 0.0 111.201 -179.527 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.79 -41.71 91.8 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -178.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 27.6 mt -60.9 -40.76 94.33 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.32 -0.552 . . . . 0.0 110.069 179.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.06 -38.84 92.79 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.956 -179.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -60.11 -43.9 95.27 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.12 -0.632 . . . . 0.0 111.129 -178.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.8 mp -54.89 -46.21 75.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 C-N-CA 120.524 -0.47 . . . . 0.0 110.932 -178.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -63.87 -40.3 96.22 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.279 -0.568 . . . . 0.0 110.005 179.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -56.95 -39.87 75.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.395 -179.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -92.68 3.0 56.41 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.88 -0.328 . . . . 0.0 111.215 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 49.18 43.34 33.06 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 120.996 -0.621 . . . . 0.0 111.926 177.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 4.5 m -109.46 16.86 7.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 120.979 -0.288 . . . . 0.0 111.249 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.0 p -47.33 161.68 0.08 Allowed 'General case' 0 CA--C 1.513 -0.452 0 CA-C-O 121.366 0.603 . . . . 0.0 111.268 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 79.43 -33.49 2.05 Favored Glycine 0 N--CA 1.446 -0.647 0 CA-C-N 114.964 -1.016 . . . . 0.0 111.025 179.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 55' ' ' ALA . 41.6 mtt85 -100.38 -24.68 14.45 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.35 -179.498 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -120.59 132.27 55.06 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.754 -179.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.9 t -146.65 163.03 37.17 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.278 -179.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.85 139.04 52.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.193 179.203 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 84.9 t -125.31 128.89 73.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.833 -179.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -96.9 153.2 18.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.081 179.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 132.23 -161.1 23.85 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.494 -1.043 . . . . 0.0 110.494 -179.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -98.38 126.32 43.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.982 0.42 . . . . 0.0 110.679 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 39.1 p90 -51.23 -26.7 7.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.679 -179.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -60.71 -48.51 81.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.279 0.562 . . . . 0.0 109.754 179.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.12 -38.61 91.87 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.605 179.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 83.0 t -69.98 130.37 34.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.741 -179.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -96.09 131.34 42.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.062 179.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 44.8 pt -122.97 14.3 5.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.328 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.483 ' HG ' ' CA ' ' A' ' 118' ' ' GLU . 71.1 m -57.14 -38.06 72.94 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.601 0.239 . . . . 0.0 111.097 -179.087 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.532 ' OE2' ' CZ ' ' A' ' 33' ' ' TYR . 2.5 pp20? -72.31 -15.51 61.89 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.799 -0.36 . . . . 0.0 111.278 -179.643 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.48 130.16 42.34 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.766 -178.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 8.3 t -94.88 -28.65 15.1 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.488 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 72.1 t -130.27 125.18 59.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.151 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 27.0 m -139.77 156.75 26.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 121.027 0.441 . . . . 0.0 111.301 179.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.458 ' OG1' ' CE ' ' A' ' 20' ' ' MET . 8.7 t -138.91 152.13 47.5 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.554 178.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 98.9 mtp -117.54 138.9 51.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.039 0.447 . . . . 0.0 111.31 -178.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -147.72 85.88 1.57 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.264 179.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 88.6 mt -124.07 139.52 53.86 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.455 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 105' ' ' THR . 86.5 mt -117.55 129.81 56.02 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.695 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 104' ' ' LEU . 2.0 m 34.03 55.29 0.59 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.488 179.601 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -126.1 151.54 47.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.678 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 83.8 t -86.02 124.6 40.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.334 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.545 ' C ' ' H ' ' A' ' 110' ' ' MET . 98.5 m-20 -97.5 5.05 50.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.948 -179.686 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 55.88 3.07 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.301 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.545 ' H ' ' C ' ' A' ' 108' ' ' ASN . 98.5 mtp 56.84 93.18 0.03 OUTLIER 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 -179.506 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -164.14 41.12 0.09 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.022 179.602 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.616 ' N ' ' CD ' ' A' ' 113' ' ' PRO . 49.6 mttp -72.22 -34.73 2.95 Favored Pre-proline 0 CA--C 1.536 0.434 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.05 -179.674 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 112' ' ' LYS . 53.1 Cg_exo -56.01 -20.96 32.21 Favored 'Trans proline' 0 N--CA 1.498 1.785 0 C-N-CA 122.487 2.125 . . . . 0.0 113.026 -178.709 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -57.85 -27.5 63.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.349 0.595 . . . . 0.0 110.133 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.42 -36.77 78.95 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.27 -179.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -63.49 -23.23 67.31 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.029 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 39.7 mmtm -98.18 -34.67 10.65 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.854 -0.338 . . . . 0.0 111.375 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.483 ' CA ' ' HG ' ' A' ' 94' ' ' SER . 73.3 mm-40 -82.83 -51.3 7.78 Favored 'General case' 0 C--N 1.333 -0.139 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.249 -179.345 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 8.3 mp -82.83 130.84 35.19 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -71.5 150.9 93.88 Favored Pre-proline 0 C--N 1.328 -0.341 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.763 -179.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_exo -53.26 139.79 63.02 Favored 'Trans proline' 0 N--CA 1.497 1.735 0 C-N-CA 121.813 1.675 . . . . 0.0 112.037 179.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . 0.457 ' O ' ' NH2' ' A' ' 124' ' ' ARG . . . 100.31 -7.83 58.54 Favored Glycine 0 C--O 1.228 -0.23 0 N-CA-C 110.734 -0.946 . . . . 0.0 110.734 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 3.7 m -69.94 147.83 49.72 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 178.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.539 ' N ' ' CD ' ' A' ' 124' ' ' ARG . 0.0 OUTLIER -103.88 128.17 51.38 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.693 -179.271 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 57.6 t -122.75 128.75 75.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.734 178.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 58.3 t -119.2 123.43 71.33 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.473 -178.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 67.4 m -97.64 153.69 18.04 Favored 'General case' 0 C--N 1.333 -0.12 0 C-N-CA 120.559 -0.457 . . . . 0.0 110.127 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . 0.489 ' CG ' ' N ' ' A' ' 129' ' ' GLU . 21.0 t-160 -60.53 -102.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.694 -179.065 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.489 ' N ' ' CG ' ' A' ' 128' ' ' HIS . 52.6 tp10 -106.58 -28.23 10.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.011 -179.236 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -80.9 138.64 36.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.974 0.416 . . . . 0.0 111.164 -179.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -87.06 164.28 16.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.188 179.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.455 ' CD1' ' CE1' ' A' ' 155' ' ' TYR . 78.8 mt -96.46 117.79 41.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.569 -179.673 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -73.46 141.34 46.86 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 178.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 89.79 -22.83 22.99 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.404 -0.678 . . . . 0.0 111.404 179.35 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 13.1 m0 -105.73 150.9 25.08 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 120.918 0.39 . . . . 0.0 110.706 -179.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 47.7 t-20 -105.75 105.71 53.95 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.623 178.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -55.75 147.5 60.63 Favored 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 121.771 1.648 . . . . 0.0 112.049 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -83.69 -49.0 9.57 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.36 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -138.11 127.1 24.08 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.769 -179.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 60.2 t -129.07 126.88 65.15 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.147 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.74 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 22.1 pt -140.15 163.06 24.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.005 0.431 . . . . 0.0 111.058 179.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -119.47 152.56 36.69 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.82 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 60.0 t -124.45 128.55 73.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-N 114.931 -1.032 . . . . 0.0 109.209 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . 0.41 ' N ' ' OE1' ' A' ' 144' ' ' GLU . 41.9 mp0 -113.87 119.64 37.99 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -139.6 99.69 3.78 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.623 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 96.64 -119.43 6.33 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -115.99 17.09 16.03 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.627 0.251 . . . . 0.0 110.621 179.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 73.8 mtm -141.22 158.29 44.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.579 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 50.6 p30 -128.33 164.99 21.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.223 0.535 . . . . 0.0 110.789 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -138.34 150.61 46.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.917 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 25.7 m -125.37 141.27 52.16 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 97.5 t -129.78 131.63 66.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.404 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -105.89 133.02 51.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.53 -179.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 69.3 tp -114.84 128.09 56.09 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.214 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . 0.455 ' CE1' ' CD1' ' A' ' 132' ' ' ILE . 85.0 m-85 -122.33 166.6 14.42 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 3.2 p -136.28 128.22 44.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.384 178.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' ILE . . . . . . . . . . . . . 41.4 mm -73.53 138.6 20.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.026 -179.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 127.03 -35.63 2.81 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 110.369 -1.092 . . . . 0.0 110.369 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -143.55 130.1 20.12 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 179.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . 0.57 ' ND1' ' N ' ' A' ' 161' ' ' LYS . 32.2 p80 -122.0 -140.83 0.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.232 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . 0.57 ' N ' ' ND1' ' A' ' 160' ' ' HIS . 9.6 mmmt 17.78 -87.95 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.484 0 O-C-N 123.882 0.739 . . . . 0.0 112.463 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 160' ' ' HIS . . . . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.633 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.4 ttm . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.7 m -65.26 142.49 58.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.512 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -138.53 119.56 14.44 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 23.0 t -131.1 81.29 66.89 Favored Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.238 -179.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -79.66 -12.65 13.62 Favored 'Trans proline' 0 N--CA 1.491 1.372 0 C-N-CA 122.527 2.152 . . . . 0.0 112.088 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -104.78 172.93 6.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.656 -179.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.7 t 64.71 61.29 1.36 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.854 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.43 165.03 33.07 Favored 'Trans proline' 0 C--N 1.308 -1.6 0 C-N-CA 122.991 2.461 . . . . 0.0 111.888 179.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -49.77 127.85 16.88 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-O 121.139 0.495 . . . . 0.0 110.112 -179.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.2 p -140.48 137.36 17.52 Favored Pre-proline 0 C--N 1.319 -0.721 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.31 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -73.95 163.12 37.68 Favored 'Trans proline' 0 N--CA 1.492 1.424 0 C-N-CA 122.052 1.834 . . . . 0.0 111.803 179.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.1 p -65.43 157.63 77.14 Favored Pre-proline 0 CA--C 1.535 0.384 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.236 -179.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_exo -57.39 148.02 74.14 Favored 'Trans proline' 0 N--CA 1.498 1.784 0 C-N-CA 121.698 1.599 . . . . 0.0 112.105 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -60.16 -17.65 42.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.035 0.445 . . . . 0.0 109.936 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -60.51 -40.78 92.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.909 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.7 t -60.85 -46.95 95.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.98 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 53.5 t -64.17 -39.44 85.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.561 179.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.3 mmm-85 -57.81 -48.94 78.28 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.145 -0.479 . . . . 0.0 112.018 -178.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 18.2 tpp85 -62.97 -37.04 85.52 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.727 -0.389 . . . . 0.0 111.374 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 89.4 mtp -57.41 -32.7 67.12 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -179.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.3 mp -77.24 -36.36 54.61 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.9 178.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -61.36 -47.07 87.52 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 120.442 -0.503 . . . . 0.0 111.64 -179.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 32.0 pt -67.63 -36.16 75.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.256 -178.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.51 -10.95 60.56 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 40.0 mmtm 59.48 35.37 22.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.931 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.9 p -59.44 120.58 5.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.273 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.427 ' H ' ' HB2' ' A' ' 30' ' ' ASP . 68.3 m -109.62 165.59 11.56 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.724 179.695 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.2 pt20 -58.38 -23.3 56.61 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 121.003 -0.279 . . . . 0.0 110.917 -179.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 57.3 p30 -96.5 6.73 48.13 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.068 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.427 ' HB2' ' H ' ' A' ' 27' ' ' SER . 96.8 m-20 -110.25 137.03 48.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.777 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.1 pp -87.94 155.48 3.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.302 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 97.0 t -123.82 119.61 57.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.292 179.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.446 ' OH ' ' OE2' ' A' ' 95' ' ' GLU . 2.4 m-30 -114.09 99.14 7.42 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 178.09 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -103.73 129.86 51.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.87 -179.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 88.9 mt -89.67 -9.56 49.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.918 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -115.43 69.72 0.26 Allowed Glycine 0 CA--C 1.528 0.87 0 C-N-CA 121.154 -0.546 . . . . 0.0 112.829 -178.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.51 ' SG ' ' OE1' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -87.48 -88.07 0.14 Allowed 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 178.565 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.518 ' N ' ' OE1' ' A' ' 59' ' ' GLU . . . 75.73 11.23 84.68 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 179.346 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.3 p30 177.93 -18.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.586 0.231 . . . . 0.0 111.169 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.6 -2.84 87.38 Favored Glycine 0 C--O 1.221 -0.709 0 N-CA-C 110.404 -1.078 . . . . 0.0 110.404 -179.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -60.27 -39.29 86.3 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.286 0.565 . . . . 0.0 110.315 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 17.2 tt -58.72 -43.15 87.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.202 -178.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 45.0 pt -89.46 -30.57 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -179.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.9 mt -60.96 -41.09 87.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 96.8 m -65.42 -22.52 66.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.072 0.463 . . . . 0.0 110.378 179.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.551 ' O ' ' N ' ' A' ' 50' ' ' PHE . . . -77.74 -64.93 1.04 Allowed 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 120.141 -0.623 . . . . 0.0 109.804 179.127 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.7 -38.87 82.8 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.239 -179.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -63.71 -46.21 86.48 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 121.003 -0.279 . . . . 0.0 111.407 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -104.86 -53.21 2.72 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -178.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.551 ' N ' ' O ' ' A' ' 46' ' ' ALA . 45.2 m-85 -72.92 -6.12 43.1 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -178.495 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 57.4 t30 49.57 33.83 6.33 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.465 -0.494 . . . . 0.0 111.368 178.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 11.5 m -44.85 168.33 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 CA-C-O 121.184 0.516 . . . . 0.0 110.606 -179.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -82.84 -50.32 8.76 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.645 178.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -141.83 124.38 15.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.718 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -120.34 128.28 53.12 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 121.024 0.44 . . . . 0.0 110.601 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 71.9 t -131.71 130.21 61.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.851 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.412 ' C ' ' SG ' ' A' ' 37' ' ' CYS . . . -113.53 106.51 1.78 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.015 -1.234 . . . . 0.0 110.015 179.005 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.417 ' O ' ' SG ' ' A' ' 37' ' ' CYS . 96.6 t -89.05 136.84 22.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 C-N-CA 120.269 -0.572 . . . . 0.0 110.627 -179.565 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.518 ' OE1' ' N ' ' A' ' 38' ' ' GLY . 4.2 tp10 -146.45 -150.95 0.36 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.041 179.716 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.4 tt 169.69 93.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 178.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.534 ' OD1' ' N ' ' A' ' 65' ' ' ILE . 29.3 p30 -150.32 179.16 8.35 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -179.408 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -105.71 -69.17 0.83 Allowed 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.68 -0.408 . . . . 0.0 112.066 -179.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -69.76 -39.48 76.68 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -178.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 96.3 mtm-85 -77.71 -7.36 56.39 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.452 -178.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.534 ' N ' ' OD1' ' A' ' 61' ' ' ASN . 15.2 tt -60.11 -39.3 80.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 120.421 -0.512 . . . . 0.0 110.993 -179.199 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.468 ' N ' ' CG2' ' A' ' 65' ' ' ILE . 8.1 ptm180 -78.29 -27.99 47.44 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.066 -179.74 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -61.45 -47.42 85.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.973 -179.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.6 -40.9 93.5 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 121.09 -0.244 . . . . 0.0 111.617 -179.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 51.4 mt -61.37 -41.99 97.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.285 0.564 . . . . 0.0 109.882 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.67 -38.87 92.04 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.816 -179.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -60.09 -45.52 92.66 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.143 -0.623 . . . . 0.0 110.843 -178.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.5 mp -54.67 -45.86 72.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.418 -179.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -67.11 -42.9 83.73 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.371 178.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -57.03 -39.19 74.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.415 -178.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -93.23 4.36 54.13 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.11 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 48.47 43.4 27.68 Favored Glycine 0 CA--C 1.522 0.5 0 C-N-CA 120.953 -0.641 . . . . 0.0 111.668 177.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.6 m -104.05 15.11 6.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.834 -179.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.9 p -61.64 130.29 45.18 Favored 'General case' 0 CA--C 1.51 -0.576 0 C-N-CA 120.352 -0.539 . . . . 0.0 111.683 -179.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 110.31 -16.67 29.48 Favored Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 109.883 -1.287 . . . . 0.0 109.883 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -130.06 -21.23 3.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.564 -0.318 . . . . 0.0 110.209 178.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -125.72 134.15 51.88 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.121 179.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 91.8 p -149.29 166.43 28.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.636 -179.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -130.97 139.55 50.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 70.6 t -129.66 133.17 65.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.679 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.2 ptmt -95.69 153.1 17.9 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.125 179.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 132.91 -176.21 19.64 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 64.1 t-20 -88.07 125.17 34.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.875 0.369 . . . . 0.0 110.477 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -49.26 -27.73 4.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.342 -179.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -61.57 -49.24 77.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.27 0.557 . . . . 0.0 109.871 178.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -65.19 -39.92 93.51 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 89.1 t -70.94 131.41 34.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.758 -179.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.445 ' OD1' ' O ' ' A' ' 92' ' ' ASP . 46.9 p-10 -88.11 124.83 34.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.432 179.551 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 47.5 pt -118.09 14.56 7.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.127 -179.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' A' ' 118' ' ' GLU . 91.3 p -60.53 -27.74 67.86 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.534 -0.466 . . . . 0.0 110.747 -179.588 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.446 ' OE2' ' OH ' ' A' ' 33' ' ' TYR . 20.0 pt-20 -73.73 -20.39 60.53 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.297 179.596 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -70.96 136.22 48.34 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -178.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 14.2 t -98.78 -28.23 13.59 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 97.1 t -127.81 127.87 68.69 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.978 179.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 62.6 t -133.12 140.6 46.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.175 0.512 . . . . 0.0 111.088 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 69.1 p -131.14 156.74 44.77 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.443 -0.798 . . . . 0.0 110.079 179.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 99.5 mtp -130.31 139.91 50.69 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.823 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -148.83 86.83 1.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.422 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 60.2 tp -142.61 125.0 15.59 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.092 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 92.4 mt -63.29 -40.48 97.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.767 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 69.7 p -83.39 158.86 21.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.918 0.39 . . . . 0.0 110.942 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 56.8 p30 -146.87 11.91 1.09 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.555 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.5 p -61.54 -30.12 47.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.926 -179.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -68.96 151.39 46.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.647 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -60.06 143.01 53.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.057 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.54 ' CE ' ' HZ1' ' A' ' 112' ' ' LYS . 89.3 mmm -98.96 -55.67 2.65 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.393 -179.675 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 2.8 mm? 63.01 72.07 0.5 Allowed 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 121.163 0.506 . . . . 0.0 110.911 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.626 ' N ' ' CD ' ' A' ' 113' ' ' PRO . 63.9 mmtt -68.62 -37.58 10.38 Favored Pre-proline 0 CA--C 1.533 0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.627 179.375 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 112' ' ' LYS . 41.7 Cg_exo -58.44 -29.07 87.38 Favored 'Trans proline' 0 N--CA 1.5 1.879 0 C-N-CA 122.397 2.065 . . . . 0.0 112.481 -179.22 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 47.7 tptt -61.53 -38.1 86.16 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.102 0.477 . . . . 0.0 109.834 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 96.1 mt -60.57 -35.67 76.64 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.969 -179.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.522 ' OE2' ' ND1' ' A' ' 160' ' ' HIS . 99.1 mt-10 -61.23 -26.43 67.74 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.981 -179.17 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -96.9 -37.77 10.09 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.666 -0.414 . . . . 0.0 111.058 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.401 ' O ' ' CB ' ' A' ' 94' ' ' SER . 77.9 mm-40 -74.36 -51.75 14.18 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.681 -0.408 . . . . 0.0 111.543 -179.438 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 86.0 mt -86.03 133.56 33.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.105 0.479 . . . . 0.0 110.894 -179.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt -72.96 151.62 90.71 Favored Pre-proline 0 C--N 1.328 -0.364 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -58.56 142.7 98.44 Favored 'Trans proline' 0 C--N 1.307 -1.614 0 C-N-CA 121.323 1.349 . . . . 0.0 111.409 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 98.28 -3.54 59.92 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 -179.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 3.7 m -72.7 147.34 45.77 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 178.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -102.58 129.37 49.12 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 120.685 0.279 . . . . 0.0 110.518 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 57.9 t -124.07 128.9 74.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.731 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 87.0 t -119.2 123.38 71.24 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.075 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.428 ' O ' ' O ' ' A' ' 128' ' ' HIS . 40.9 t -100.86 146.55 27.18 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.908 0.385 . . . . 0.0 110.643 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . 0.512 ' CG ' ' N ' ' A' ' 129' ' ' GLU . 21.5 t-160 -49.32 -105.52 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.881 -179.202 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.512 ' N ' ' CG ' ' A' ' 128' ' ' HIS . 24.5 pt-20 -110.21 -21.81 12.07 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.423 -179.464 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -80.05 133.61 36.14 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.788 -179.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -81.91 163.24 22.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.409 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 70.6 mt -94.96 118.73 41.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.103 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 79.0 ttt-85 -82.08 140.83 33.63 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 178.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 90.8 -19.82 42.86 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . 0.468 ' CZ3' ' CE2' ' A' ' 155' ' ' TYR . 36.2 m0 -114.5 159.02 20.84 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.044 0.45 . . . . 0.0 110.938 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -108.8 117.06 54.86 Favored Pre-proline 0 CA--C 1.537 0.451 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.05 179.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.31 153.26 61.62 Favored 'Trans proline' 0 N--CA 1.493 1.462 0 C-N-CA 121.435 1.423 . . . . 0.0 111.716 -179.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 47.9 tptt -84.69 -48.03 9.87 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.766 -0.373 . . . . 0.0 110.687 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -138.22 126.12 22.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.872 -179.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 62.4 t -127.94 125.59 65.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.54 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 25.8 pt -140.58 164.7 21.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 121.011 0.434 . . . . 0.0 111.15 179.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 20.3 mtmt -121.41 150.95 40.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.645 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 61.6 t -125.94 130.83 72.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.536 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 11.1 pm0 -114.88 125.82 54.09 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.211 0.529 . . . . 0.0 111.149 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -143.39 100.03 3.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.778 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 93.75 -115.65 5.02 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 33.5 p-10 -118.98 14.33 13.2 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.883 0.373 . . . . 0.0 111.004 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 64.8 mtt -140.09 157.01 46.31 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.16 179.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 51.5 p30 -128.9 167.59 17.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.157 0.503 . . . . 0.0 110.858 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -138.15 147.75 44.2 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.392 -179.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 63.6 m -123.45 140.17 53.28 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 63.8 t -130.37 132.38 64.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.762 0.315 . . . . 0.0 110.614 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -105.94 132.29 52.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.714 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 56.6 tp -110.42 135.23 51.43 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.34 -0.845 . . . . 0.0 108.734 179.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . 0.511 ' CG ' ' N ' ' A' ' 156' ' ' VAL . 75.5 t80 -138.19 158.51 44.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.573 0.702 . . . . 0.0 111.045 -179.782 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . 0.511 ' N ' ' CG ' ' A' ' 155' ' ' TYR . 65.7 t -128.1 126.69 66.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 114.587 -1.188 . . . . 0.0 111.089 179.728 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' ILE . . . . . . . . . . . . . 47.2 mm -68.82 129.77 33.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.81 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 140.3 -36.18 1.82 Allowed Glycine 0 CA--C 1.527 0.796 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . 0.444 ' O ' ' OH ' ' A' ' 155' ' ' TYR . 4.0 pt-20 -136.59 100.04 4.23 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.264 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . 0.522 ' ND1' ' OE2' ' A' ' 116' ' ' GLU . 0.0 OUTLIER -123.92 116.2 22.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.356 -178.89 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 175.45 101.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.532 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.541 0 CA-C-O 117.921 -1.038 . . . . 0.0 110.531 -179.999 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.5 mtm . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.8 t -61.11 -42.69 98.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.676 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -124.32 146.7 48.65 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.505 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.3 p -131.01 70.48 82.62 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.603 -179.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.63 52.22 3.59 Favored 'Trans proline' 0 C--N 1.307 -1.607 0 C-N-CA 122.469 2.113 . . . . 0.0 112.068 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -158.43 109.81 2.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.569 -0.742 . . . . 0.0 109.648 179.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 28.7 m -138.16 150.15 66.04 Favored Pre-proline 0 CA--C 1.533 0.315 0 C-N-CA 120.755 -0.378 . . . . 0.0 111.324 -179.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -73.51 178.4 6.74 Favored 'Trans proline' 0 N--CA 1.494 1.559 0 C-N-CA 122.722 2.282 . . . . 0.0 111.531 178.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -47.39 146.08 2.18 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.425 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 30.3 m -126.78 119.37 22.65 Favored Pre-proline 0 CA--C 1.536 0.415 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.308 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.632 ' CB ' HH22 ' A' ' 41' ' ' ARG . 51.8 Cg_exo -53.96 151.9 25.49 Favored 'Trans proline' 0 N--CA 1.494 1.543 0 C-N-CA 121.264 1.309 . . . . 0.0 111.015 178.605 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 42.1 p -60.14 155.08 47.4 Favored Pre-proline 0 CA--C 1.534 0.362 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.733 -178.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -57.54 150.43 60.5 Favored 'Trans proline' 0 N--CA 1.499 1.842 0 C-N-CA 121.965 1.777 . . . . 0.0 112.374 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.2 pm0 -56.95 -13.78 2.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.373 0.606 . . . . 0.0 109.964 179.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -59.34 -38.78 81.23 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.274 -0.875 . . . . 0.0 110.681 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 56.6 t -59.71 -47.48 91.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 121.016 -0.274 . . . . 0.0 111.58 -178.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.1 p -69.6 -30.3 44.62 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.715 179.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.519 ' NH2' ' OD2' ' A' ' 49' ' ' ASP . 7.9 mmm180 -61.89 -42.13 98.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.961 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 -67.14 -39.32 86.56 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.387 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 66.7 mtt -62.66 -37.09 85.02 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.191 0.519 . . . . 0.0 110.599 -179.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 85.8 mt -70.38 -40.32 74.05 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.318 -0.855 . . . . 0.0 112.028 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -66.0 -44.06 85.91 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -179.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 38.2 pt -67.98 -35.11 70.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.011 -178.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.16 -10.35 53.57 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.478 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? 68.36 50.96 0.7 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.882 0.848 . . . . 0.0 110.05 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 82.9 t -84.27 112.34 21.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.253 179.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.413 ' H ' ' HB2' ' A' ' 30' ' ' ASP . 69.5 m -111.76 164.79 12.67 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.261 -0.882 . . . . 0.0 109.639 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -58.65 -17.29 21.1 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.616 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -100.28 -1.68 35.67 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.685 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.413 ' HB2' ' H ' ' A' ' 27' ' ' SER . 97.1 m-20 -105.83 140.39 38.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.818 0.342 . . . . 0.0 110.811 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.2 pp -89.76 158.19 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.452 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 92.1 t -125.83 119.91 55.93 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-O 120.954 0.406 . . . . 0.0 111.326 179.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.1 m-30 -112.67 120.82 42.84 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 177.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -142.03 146.09 35.14 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.654 -0.418 . . . . 0.0 111.217 -178.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -110.53 8.54 23.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.084 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.461 ' O ' ' O ' ' A' ' 37' ' ' CYS . . . -92.77 11.13 72.78 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.096 -0.801 . . . . 0.0 111.096 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.591 ' SG ' ' N ' ' A' ' 40' ' ' GLY . 24.8 t -47.25 -102.84 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.498 0.189 . . . . 0.0 111.041 -179.397 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.557 ' N ' ' SG ' ' A' ' 37' ' ' CYS . . . 76.8 8.33 86.44 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.441 -1.063 . . . . 0.0 110.441 -179.573 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.44 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 4.3 t0 176.12 -20.09 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.841 0.353 . . . . 0.0 110.224 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.591 ' N ' ' SG ' ' A' ' 37' ' ' CYS . . . 92.44 -6.11 77.76 Favored Glycine 0 C--O 1.22 -0.74 0 N-CA-C 110.693 -0.963 . . . . 0.0 110.693 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.632 HH22 ' CB ' ' A' ' 11' ' ' PRO . 17.8 ptm180 -59.14 -20.51 54.36 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.834 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.433 ' CG2' ' N ' ' A' ' 43' ' ' ILE . 16.8 tt -76.39 -43.39 36.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.433 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 32.6 pt -90.37 -29.11 4.91 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -179.348 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.434 ' CD1' ' CG ' ' A' ' 71' ' ' ASN . 70.5 mt -61.84 -41.96 92.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 111.547 0.202 . . . . 0.0 111.547 179.627 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 91.8 m -64.71 -24.15 67.48 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.209 0.528 . . . . 0.0 109.962 179.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.563 ' O ' ' N ' ' A' ' 50' ' ' PHE . . . -74.35 -66.45 0.73 Allowed 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.738 179.041 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.44 -39.65 84.23 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.987 -178.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -63.46 -46.01 88.19 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.574 -0.45 . . . . 0.0 111.483 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.519 ' OD2' ' NH2' ' A' ' 18' ' ' ARG . 37.2 t70 -104.86 -52.74 2.8 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -178.354 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.563 ' N ' ' O ' ' A' ' 46' ' ' ALA . 50.9 m-85 -74.75 -4.93 40.5 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -178.082 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.41 ' OD1' ' O ' ' A' ' 51' ' ' ASN . 47.9 t-20 49.65 36.33 10.43 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 178.376 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.9 m -58.29 127.99 18.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.338 0.59 . . . . 0.0 111.183 -179.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -49.61 -46.42 49.25 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.635 -179.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -138.78 124.37 19.57 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.534 -0.466 . . . . 0.0 110.605 -178.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 80' ' ' ARG . . . -127.24 127.54 44.58 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.9 0.381 . . . . 0.0 110.044 179.668 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 76.6 t -131.19 133.47 62.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.907 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -115.17 130.8 9.36 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.331 -1.107 . . . . 0.0 110.331 179.19 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 81.4 t -97.31 120.33 46.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -130.63 -166.03 1.63 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.865 -179.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.402 ' CG2' ' O ' ' A' ' 60' ' ' ILE . 6.3 tt 169.72 89.59 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 178.289 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -150.4 -177.01 5.71 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -108.59 -65.73 1.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.26 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -71.04 -38.82 72.55 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 111.992 0.368 . . . . 0.0 111.992 -179.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 84.1 mtp180 -80.57 -7.33 59.2 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.787 -178.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.455 ' CG2' ' N ' ' A' ' 66' ' ' ARG . 14.1 tt -63.21 -38.69 82.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 120.224 -0.59 . . . . 0.0 111.005 -179.173 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.455 ' N ' ' CG2' ' A' ' 65' ' ' ILE . 37.3 ptt85 -80.84 -27.93 36.28 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.791 -179.604 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -61.65 -47.63 84.51 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.378 -179.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.95 -41.08 95.63 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -178.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 32.8 mt -60.58 -41.16 94.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.007 0.432 . . . . 0.0 110.467 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.61 -38.87 92.77 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.405 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.523 ' OD1' ' ND2' ' A' ' 75' ' ' ASN . 52.8 t-20 -64.16 -22.94 67.13 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -178.42 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.6 mp -71.48 -47.88 56.15 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 C-N-CA 120.043 -0.663 . . . . 0.0 109.872 178.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -65.49 -38.47 89.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.608 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -57.13 -40.02 76.31 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.227 -178.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.523 ' ND2' ' OD1' ' A' ' 71' ' ' ASN . 66.9 m-80 -93.58 3.29 55.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 49.7 44.04 38.34 Favored Glycine 0 CA--C 1.525 0.667 0 C-N-CA 121.225 -0.512 . . . . 0.0 112.028 178.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.7 m -107.82 15.79 7.54 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.371 0 CA-C-N 117.037 0.418 . . . . 0.0 111.512 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.9 p -46.89 156.41 0.2 Allowed 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 121.823 0.82 . . . . 0.0 111.289 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 75.66 -4.02 46.16 Favored Glycine 0 N--CA 1.445 -0.751 0 CA-C-N 114.186 -1.37 . . . . 0.0 111.182 178.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 55' ' ' ALA . 79.3 mtt-85 -125.09 -31.05 3.14 Favored 'General case' 0 CA--C 1.52 -0.18 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 179.328 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -117.78 130.32 56.22 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.536 -179.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 62.7 m -139.68 159.35 42.37 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.132 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.17 136.52 59.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.546 179.358 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 85.3 t -128.19 131.68 69.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.673 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.35 150.8 19.87 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.336 179.426 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 135.91 -165.61 24.81 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.796 -0.921 . . . . 0.0 110.796 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -100.98 128.44 47.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.918 0.39 . . . . 0.0 110.668 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -49.03 -30.51 6.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.308 -179.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -64.69 -45.9 84.66 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.613 179.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -61.87 -40.46 95.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.428 -0.805 . . . . 0.0 112.38 -178.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 11.1 p -86.07 157.68 3.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.9 -179.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -102.9 130.92 50.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.754 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 37.5 pt -117.68 14.63 7.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.99 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 93.7 p -60.26 -25.35 65.63 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.584 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.63 -20.12 61.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.386 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.16 128.09 35.08 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 -178.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.4 t -95.0 -25.85 16.33 Favored 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 178.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 97.3 t -132.76 129.98 58.71 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.244 179.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 97.0 t -132.78 140.59 47.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 121.095 0.474 . . . . 0.0 110.943 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 65.9 p -133.96 158.65 42.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.431 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 65.8 mtt -131.56 149.4 52.52 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.7 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -135.92 139.67 43.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.976 -0.557 . . . . 0.0 109.989 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.403 ' H ' ' CD2' ' A' ' 128' ' ' HIS . 59.8 tp -51.26 122.45 7.79 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.063 -179.554 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 59.8 tp -161.25 -56.9 0.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.141 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 90.9 m -119.79 131.33 55.3 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.43 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -60.65 -40.51 92.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.181 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 82.2 t -104.93 121.0 56.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.967 0.413 . . . . 0.0 111.032 -179.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -163.26 138.92 6.74 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.43 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 54.45 58.9 4.51 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.794 -0.363 . . . . 0.0 110.436 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 7.9 mmt -41.09 -84.2 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.921 -178.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 7.7 mp -55.23 119.01 4.89 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.591 -178.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.544 ' N ' ' CD ' ' A' ' 113' ' ' PRO . 96.0 mttt -72.71 -38.19 4.77 Favored Pre-proline 0 CA--C 1.54 0.572 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.914 179.273 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.544 ' CD ' ' N ' ' A' ' 112' ' ' LYS . 86.2 Cg_endo -78.09 -5.84 15.41 Favored 'Trans proline' 0 N--CA 1.494 1.559 0 C-N-CA 122.108 1.872 . . . . 0.0 113.689 -177.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -61.7 -39.93 93.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.959 0.409 . . . . 0.0 110.499 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 95.7 mt -61.07 -35.8 77.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.792 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -61.56 -24.6 66.76 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.04 -179.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -97.57 -38.68 9.46 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.561 -0.455 . . . . 0.0 110.952 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -74.98 -51.17 14.33 Favored 'General case' 0 C--N 1.333 -0.136 0 C-N-CA 120.773 -0.371 . . . . 0.0 111.458 -179.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 6.4 mp -82.79 132.11 35.18 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -71.4 151.86 94.11 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 116.34 -0.391 . . . . 0.0 109.96 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_endo -58.03 140.39 93.85 Favored 'Trans proline' 0 C--N 1.313 -1.335 0 C-N-CA 121.516 1.477 . . . . 0.0 111.369 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . 0.53 ' O ' ' NH2' ' A' ' 124' ' ' ARG . . . 101.74 -6.06 54.49 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.567 -1.013 . . . . 0.0 110.567 -179.157 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 5.3 m -72.74 142.71 48.16 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 178.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.53 ' NH2' ' O ' ' A' ' 122' ' ' GLY . 11.6 mpt_? -97.78 130.58 44.71 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.965 0.412 . . . . 0.0 110.889 -179.588 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 59.2 t -121.66 126.53 74.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.73 178.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 59.5 t -121.2 124.06 71.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.732 -179.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 66.6 m -98.73 154.94 17.6 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.555 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . 0.526 ' HD1' ' N ' ' A' ' 129' ' ' GLU . 60.7 t-80 -63.01 -100.28 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.471 -179.453 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.526 ' N ' ' HD1' ' A' ' 128' ' ' HIS . 24.2 pt-20 -112.57 -19.55 12.05 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.747 0.308 . . . . 0.0 111.004 -179.755 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -85.97 130.61 34.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.014 -179.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -81.07 158.15 25.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.184 179.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 73.5 mt -93.98 117.79 38.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 109.83 -0.434 . . . . 0.0 109.83 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -74.13 139.75 44.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.074 179.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 89.26 -27.49 7.57 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.296 -0.722 . . . . 0.0 111.296 179.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 12.8 m0 -95.95 144.17 26.49 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.033 0.444 . . . . 0.0 111.137 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -99.29 110.98 60.17 Favored Pre-proline 0 CA--C 1.537 0.464 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.15 179.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -72.33 150.08 52.0 Favored 'Trans proline' 0 N--CA 1.495 1.566 0 C-N-CA 121.62 1.546 . . . . 0.0 112.256 -179.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -86.75 -48.5 8.19 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.654 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -130.65 130.4 43.88 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.899 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 65.7 t -130.41 123.8 56.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.141 179.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 22.6 pt -140.81 164.0 21.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 120.513 -0.475 . . . . 0.0 111.439 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 39.0 mtpt -120.46 151.13 39.74 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.235 -0.893 . . . . 0.0 112.02 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 60.2 t -124.92 129.86 73.38 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 114.818 -1.083 . . . . 0.0 109.265 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . 0.437 ' O ' ' OD1' ' A' ' 145' ' ' ASP . 21.4 pt-20 -117.01 123.07 45.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.121 0.486 . . . . 0.0 110.998 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' A' ' 144' ' ' GLU . 98.9 m-20 -139.45 101.01 4.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.283 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 94.93 -117.08 5.5 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -118.89 17.05 13.45 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-O 120.701 0.286 . . . . 0.0 110.829 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 93.3 mtp -140.36 158.2 44.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.172 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 49.8 p30 -130.45 166.02 21.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.292 0.567 . . . . 0.0 111.145 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -137.6 149.89 47.01 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.9 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.444 ' O ' ' O ' ' A' ' 128' ' ' HIS . 30.0 m -122.32 140.09 53.05 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.455 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 70.7 t -128.61 132.45 67.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.715 0.293 . . . . 0.0 110.94 -179.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -106.93 129.73 54.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.119 179.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 66.7 tp -114.88 127.4 55.68 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.413 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . 0.478 ' CZ ' ' O ' ' A' ' 156' ' ' VAL . 69.3 t80 -143.92 134.07 24.3 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.386 -0.526 . . . . 0.0 111.815 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . 0.478 ' O ' ' CZ ' ' A' ' 155' ' ' TYR . 7.1 p -98.56 138.71 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.862 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' ILE . . . . . . . . . . . . . 49.0 mm -72.55 134.32 30.05 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.62 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 143.65 -27.03 2.09 Favored Glycine 0 CA--C 1.527 0.784 0 C-N-CA 121.038 -0.601 . . . . 0.0 111.664 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . 0.447 ' O ' ' OH ' ' A' ' 155' ' ' TYR . 53.1 tp10 -148.51 100.81 3.17 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 179.488 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 24.5 p80 -130.72 136.16 48.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.616 -179.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 46.4 mtpt 73.08 144.31 0.07 Allowed 'General case' 0 N--CA 1.462 0.174 0 O-C-N 123.686 0.616 . . . . 0.0 109.609 -178.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.555 -179.588 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.435 ' C ' ' H ' ' A' ' 3' ' ' TYR . 15.0 mmt . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.6 m 58.33 7.77 0.73 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.639 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.435 ' H ' ' C ' ' A' ' 1' ' ' MET . 64.2 m-85 -136.92 151.55 49.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.159 179.288 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.2 t 52.56 61.59 11.48 Favored Pre-proline 0 C--N 1.329 -0.316 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.474 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.47 153.12 70.68 Favored 'Trans proline' 0 C--N 1.308 -1.569 0 C-N-CA 122.516 2.144 . . . . 0.0 111.988 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -83.5 72.89 10.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.044 -179.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.422 ' CG2' ' O ' ' A' ' 7' ' ' VAL . 33.0 m -132.54 71.8 78.57 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 179.455 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -58.24 142.93 97.69 Favored 'Trans proline' 0 N--CA 1.496 1.653 0 C-N-CA 122.765 2.31 . . . . 0.0 112.561 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 43.5 t80 -134.81 129.48 34.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.254 179.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.435 ' O ' ' CG1' ' A' ' 10' ' ' VAL . 11.7 p -153.77 117.13 2.68 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.096 179.472 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -78.16 131.31 10.76 Favored 'Trans proline' 0 N--CA 1.49 1.297 0 C-N-CA 121.47 1.447 . . . . 0.0 111.774 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.6 p -42.55 106.75 0.48 Allowed Pre-proline 0 CA--C 1.54 0.579 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -178.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -55.65 174.02 0.32 Allowed 'Trans proline' 0 N--CA 1.496 1.649 0 C-N-CA 122.31 2.007 . . . . 0.0 112.103 178.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -64.02 -22.77 67.07 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.074 0.464 . . . . 0.0 110.293 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.0 -34.98 77.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.491 0.662 . . . . 0.0 110.103 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 69.5 t -62.77 -44.84 99.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.859 -179.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.97 -27.94 39.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 C-N-CA 120.454 -0.499 . . . . 0.0 110.628 -179.464 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.526 ' NH2' ' OD2' ' A' ' 49' ' ' ASP . 10.1 mmm180 -60.72 -41.31 95.05 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.859 -179.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.6 mmt-85 -68.71 -37.76 79.76 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.831 178.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 96.1 mtp -61.82 -37.09 83.14 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.523 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 85.4 mt -70.9 -40.82 71.94 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.023 179.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -64.16 -46.67 82.99 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 -179.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 37.9 pt -64.61 -35.71 75.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.989 -178.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.45 -10.17 48.85 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.569 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.2 tptt 64.33 27.06 13.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.651 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.3 p -65.05 122.68 16.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.865 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.0 t -115.35 174.12 6.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.667 179.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -62.01 -19.67 63.09 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.177 -179.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -96.01 -1.64 48.53 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.228 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -106.1 140.96 38.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.832 0.349 . . . . 0.0 110.923 -179.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.2 pp -90.21 157.31 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.769 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 92.7 t -124.19 119.45 56.69 Favored 'Isoleucine or valine' 0 C--O 1.232 0.147 0 CA-C-O 120.904 0.383 . . . . 0.0 111.891 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.1 m-30 -112.37 106.05 14.47 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 177.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -125.04 142.41 51.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.072 0.463 . . . . 0.0 111.625 -178.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -106.36 6.32 30.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.224 179.565 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.469 ' O ' ' O ' ' A' ' 37' ' ' CYS . . . -93.81 11.96 70.15 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.521 -0.631 . . . . 0.0 111.521 -179.412 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.59 ' SG ' ' N ' ' A' ' 40' ' ' GLY . 21.4 t -44.22 -99.25 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.647 0.224 . . . . 0.0 110.77 -179.536 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.497 ' N ' ' SG ' ' A' ' 37' ' ' CYS . . . 75.87 8.94 85.11 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.456 ' OD2' ' ND2' ' A' ' 71' ' ' ASN . 0.8 OUTLIER 169.43 -16.58 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.646 0.26 . . . . 0.0 110.56 179.85 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.59 ' N ' ' SG ' ' A' ' 37' ' ' CYS . . . 93.43 -5.94 74.58 Favored Glycine 0 C--O 1.221 -0.696 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 35.9 ptt-85 -59.6 -19.9 52.11 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.914 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.442 ' CG2' ' N ' ' A' ' 43' ' ' ILE . 14.9 tt -77.36 -43.41 30.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.442 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 34.7 pt -90.06 -26.63 5.27 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -179.207 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 60.6 mt -61.93 -41.89 92.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 179.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 99.4 m -65.68 -26.02 67.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.183 0.516 . . . . 0.0 110.289 179.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.575 ' O ' ' N ' ' A' ' 50' ' ' PHE . . . -73.49 -66.33 0.71 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.891 179.101 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.66 -38.85 82.57 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.632 -178.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -63.09 -45.78 90.47 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.646 -0.421 . . . . 0.0 111.23 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.526 ' OD2' ' NH2' ' A' ' 18' ' ' ARG . 63.7 t0 -105.89 -52.99 2.71 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 -178.477 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.575 ' N ' ' O ' ' A' ' 46' ' ' ALA . 50.1 m-85 -72.64 -6.06 41.67 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 -178.45 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 58.8 t30 49.88 33.65 6.8 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.555 -0.458 . . . . 0.0 111.522 178.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.3 m -53.08 129.21 13.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.349 0.595 . . . . 0.0 111.297 -178.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -48.41 -47.76 37.62 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.186 -0.916 . . . . 0.0 110.272 -178.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -142.19 123.09 14.43 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.506 -0.478 . . . . 0.0 110.313 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 80' ' ' ARG . . . -120.22 127.48 52.47 Favored 'General case' 0 CA--C 1.52 -0.203 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 67.4 t -131.97 132.25 61.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.156 -179.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -106.21 132.72 11.26 Favored Glycine 0 CA--C 1.521 0.449 0 N-CA-C 109.594 -1.402 . . . . 0.0 109.594 178.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 61.7 t -103.73 121.19 54.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -138.34 -165.19 1.76 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.3 -179.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.441 ' O ' ' OD1' ' A' ' 61' ' ' ASN . 7.9 tt 170.99 85.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 108.482 -0.932 . . . . 0.0 108.482 178.521 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.441 ' OD1' ' O ' ' A' ' 60' ' ' ILE . 99.0 m-20 -144.58 179.29 7.38 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 -179.636 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -103.98 -66.82 0.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.508 -0.477 . . . . 0.0 111.232 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -70.5 -38.73 74.37 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.823 0.344 . . . . 0.0 111.834 -179.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 45.1 mmm-85 -77.19 -8.15 57.07 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.45 -178.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.436 ' CG2' ' N ' ' A' ' 66' ' ' ARG . 13.5 tt -64.42 -37.24 79.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 C-N-CA 120.34 -0.544 . . . . 0.0 111.498 -178.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.436 ' N ' ' CG2' ' A' ' 65' ' ' ILE . 8.0 ptm180 -81.84 -31.1 31.81 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.832 -178.644 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.409 ' O ' ' ND2' ' A' ' 71' ' ' ASN . 94.6 mt-10 -61.87 -45.2 94.8 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.049 -0.661 . . . . 0.0 110.984 -179.151 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.77 -39.98 90.82 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 121.01 -0.276 . . . . 0.0 111.246 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 36.6 mt -62.05 -41.27 97.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.195 0.522 . . . . 0.0 109.669 179.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.12 -39.25 94.14 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.705 -179.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.456 ' ND2' ' OD2' ' A' ' 39' ' ' ASP . 67.4 m-80 -60.23 -44.87 94.84 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.215 -0.594 . . . . 0.0 110.775 -178.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.4 mp -53.39 -50.68 46.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.533 -179.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.6 -42.09 95.78 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.448 179.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 52.8 tptt -56.96 -38.06 72.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.742 -178.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -93.76 4.52 53.81 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.25 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 48.89 41.9 28.89 Favored Glycine 0 CA--C 1.523 0.551 0 C-N-CA 121.119 -0.563 . . . . 0.0 111.804 177.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 6.8 m -102.97 10.89 8.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.328 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.2 122.99 11.44 Favored 'General case' 0 CA--C 1.52 -0.205 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.674 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 113.68 -11.81 23.16 Favored Glycine 0 CA--C 1.519 0.312 0 N-CA-C 109.855 -1.298 . . . . 0.0 109.855 -179.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 55' ' ' ALA . 36.9 mtt85 -128.88 -29.97 2.29 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 178.619 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -120.42 131.79 54.95 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.865 -179.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.468 ' HG ' ' H ' ' A' ' 83' ' ' ILE . 47.5 t -145.15 162.39 37.18 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.911 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.468 ' H ' ' HG ' ' A' ' 82' ' ' SER . 0.0 OUTLIER -126.75 135.24 64.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.166 179.515 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 87.4 t -126.13 131.5 71.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.073 -179.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.96 158.82 16.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.127 179.325 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 144.18 -167.04 27.0 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -95.6 136.36 36.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.028 0.442 . . . . 0.0 110.692 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -56.94 -37.74 71.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.715 -178.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -69.36 -35.36 75.78 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.119 0.485 . . . . 0.0 110.01 179.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -83.75 -3.33 57.73 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.896 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 93.8 t -105.89 127.01 61.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.807 0.337 . . . . 0.0 110.81 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -99.99 125.16 45.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.825 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 40.3 pt -115.14 20.89 6.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.985 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 92.4 p -59.73 -27.85 66.83 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.536 -178.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.25 -19.04 61.16 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.856 -0.338 . . . . 0.0 111.657 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.1 128.28 35.97 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -177.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.4 t -95.81 -26.81 15.5 Favored 'General case' 0 CA--C 1.528 0.106 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 178.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 79.1 t -130.79 127.77 62.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.932 179.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 98.2 t -132.81 140.14 48.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.215 0.531 . . . . 0.0 111.246 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 74.1 p -131.41 156.01 46.31 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.078 179.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 62.8 tpp -129.35 124.49 34.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.764 0.316 . . . . 0.0 110.579 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -143.26 108.06 4.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.441 179.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 89.8 mt -127.26 146.6 50.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.59 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.475 ' N ' ' CD1' ' A' ' 104' ' ' LEU . 8.3 mp -62.58 -38.93 92.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.441 179.626 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 76.0 p -112.2 161.88 16.09 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.456 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -97.75 146.0 25.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.994 -179.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 86.7 t -124.87 134.88 65.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.295 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -60.5 -39.66 88.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.494 -179.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -135.68 123.22 22.14 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 121.043 0.449 . . . . 0.0 111.699 -179.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 50.6 mmm -142.86 -26.66 0.6 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.151 179.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 81.2 mt -112.64 143.89 43.06 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.925 0.393 . . . . 0.0 110.91 -179.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.535 ' C ' ' H ' ' A' ' 114' ' ' LYS . 23.1 mmtp -132.48 153.48 81.19 Favored Pre-proline 0 CA--C 1.535 0.39 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.806 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_exo -47.87 -7.0 0.05 OUTLIER 'Trans proline' 0 N--CA 1.495 1.562 0 C-N-CA 122.261 1.974 . . . . 0.0 112.286 178.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.535 ' H ' ' C ' ' A' ' 112' ' ' LYS . 68.6 mttm -60.8 -23.94 65.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.625 -179.562 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 96.5 mt -60.81 -36.54 79.33 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.214 0.53 . . . . 0.0 109.906 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -64.24 -22.32 66.9 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.766 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.511 ' CB ' ' HZ3' ' A' ' 117' ' ' LYS . 0.7 OUTLIER -97.63 -39.17 9.22 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.887 179.729 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -77.48 -52.85 8.4 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.916 -0.314 . . . . 0.0 111.262 -179.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 7.4 mp -83.13 133.81 35.02 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.765 -0.458 . . . . 0.0 109.765 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -71.93 154.15 92.7 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.281 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_endo -60.76 142.17 96.96 Favored 'Trans proline' 0 C--N 1.311 -1.412 0 C-N-CA 121.866 1.711 . . . . 0.0 111.644 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 96.19 -4.68 65.12 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.15 -1.18 . . . . 0.0 110.15 -179.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 1.3 m -71.02 147.53 48.51 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 178.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -102.64 129.04 49.11 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.882 -179.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 63.2 t -123.36 129.32 74.86 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.054 178.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 57.4 t -119.34 123.1 70.64 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-O 120.595 0.236 . . . . 0.0 111.303 -179.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 38.4 t -99.28 143.11 29.91 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.906 0.384 . . . . 0.0 110.485 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -49.13 -103.17 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.636 -178.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -109.66 -28.8 8.66 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -178.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -85.14 119.82 25.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.029 0.442 . . . . 0.0 111.246 -179.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 19.9 pm0 -67.39 161.98 24.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.415 179.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 80.6 mt -90.06 119.77 37.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 30.7 tpt85 -74.16 139.06 44.22 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 91.75 -21.27 37.08 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.434 -0.666 . . . . 0.0 111.434 179.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . 0.465 ' NE1' ' CD2' ' A' ' 160' ' ' HIS . 13.2 m0 -106.98 152.29 24.16 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.941 0.4 . . . . 0.0 111.091 -179.545 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -104.94 115.84 61.77 Favored Pre-proline 0 CA--C 1.538 0.496 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.814 179.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -71.74 150.27 55.95 Favored 'Trans proline' 0 N--CA 1.493 1.491 0 C-N-CA 121.512 1.474 . . . . 0.0 112.145 -179.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -83.74 -47.47 11.14 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.667 -0.413 . . . . 0.0 109.945 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -132.61 131.57 41.57 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.645 179.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 66.8 t -130.15 122.88 54.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.272 179.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 25.0 pt -143.03 163.4 16.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 C-N-CA 120.435 -0.506 . . . . 0.0 111.36 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 26.1 mtmt -120.6 152.59 37.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.697 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 60.7 t -125.88 129.74 72.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.372 179.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -112.18 121.38 44.77 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -140.86 98.23 3.35 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.572 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 96.33 -119.06 6.17 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -117.05 16.43 15.02 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.822 0.344 . . . . 0.0 110.433 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' MET . . . . . 0.588 ' N ' ' SD ' ' A' ' 148' ' ' MET . 1.2 mpt? -139.79 155.27 47.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.401 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 54.1 p30 -124.16 164.48 19.4 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.157 0.504 . . . . 0.0 110.774 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -137.34 147.62 45.7 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.015 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 51.1 m -123.24 139.69 53.79 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 179.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 67.4 t -129.4 131.26 67.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.782 0.325 . . . . 0.0 110.494 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -109.2 133.48 52.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.833 -179.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 68.7 tp -112.75 131.28 55.74 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -125.3 160.97 28.01 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 66.8 t -129.67 125.37 61.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.825 179.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' ILE . . . . . . . . . . . . . 44.3 mm -69.82 133.52 31.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.645 -179.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 135.23 -32.23 2.59 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.224 -1.15 . . . . 0.0 110.224 -179.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -149.8 138.54 20.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.72 0.295 . . . . 0.0 110.363 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . 0.465 ' CD2' ' NE1' ' A' ' 135' ' ' TRP . 56.2 p-80 -168.95 140.99 2.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.65 179.697 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 6.4 mtmt 169.46 172.49 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.231 179.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.547 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.623 -179.963 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.0 mmt . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.408 -0.589 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.6 m -126.38 148.2 49.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.616 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 56.76 22.56 7.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.591 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.602 ' N ' ' CD ' ' A' ' 5' ' ' PRO . 2.1 t -65.75 -37.97 21.71 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.823 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.602 ' CD ' ' N ' ' A' ' 4' ' ' VAL . 33.8 Cg_exo -60.58 151.41 75.86 Favored 'Trans proline' 0 N--CA 1.498 1.745 0 C-N-CA 122.519 2.146 . . . . 0.0 112.211 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.469 ' O ' ' C ' ' A' ' 7' ' ' VAL . 77.3 m80 -53.38 141.71 23.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.172 -179.717 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.718 ' O ' HG13 ' A' ' 7' ' ' VAL . 8.0 p -22.07 88.93 0.04 OUTLIER Pre-proline 0 N--CA 1.469 0.486 0 O-C-N 124.067 0.854 . . . . 0.0 112.034 -179.337 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.417 ' N ' ' O ' ' A' ' 6' ' ' HIS . 88.3 Cg_endo -80.0 161.24 23.84 Favored 'Trans proline' 0 N--CA 1.491 1.377 0 C-N-CA 122.435 2.09 . . . . 0.0 112.417 -179.554 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -59.48 134.61 57.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.187 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.733 ' O ' HG23 ' A' ' 10' ' ' VAL . 31.5 m -118.72 104.12 47.57 Favored Pre-proline 0 CA--C 1.538 0.491 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.2 -179.632 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -55.14 147.94 51.7 Favored 'Trans proline' 0 N--CA 1.497 1.734 0 C-N-CA 121.775 1.65 . . . . 0.0 111.51 178.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.3 p -66.47 157.94 80.44 Favored Pre-proline 0 CA--C 1.533 0.319 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.075 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -57.42 148.26 72.96 Favored 'Trans proline' 0 N--CA 1.497 1.701 0 C-N-CA 121.739 1.626 . . . . 0.0 112.209 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.24 -20.35 58.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.703 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -59.8 -38.79 82.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.892 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 65.3 t -61.2 -46.46 96.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.06 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 53.2 t -63.68 -39.31 84.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.091 179.017 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.9 mmm180 -59.22 -41.78 89.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.265 -178.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.8 mmt180 -65.89 -37.62 86.6 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.24 179.417 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 65.5 mtt -61.66 -34.75 76.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.119 -179.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.708 ' O ' HG12 ' A' ' 26' ' ' VAL . 7.7 mp -75.03 -41.18 59.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.934 179.431 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -61.59 -45.38 94.36 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.914 0.339 . . . . 0.0 111.914 -179.029 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.414 HG21 HD13 ' A' ' 23' ' ' ILE . 34.3 pt -67.98 -35.83 73.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.946 -179.13 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.428 ' HB1' HG13 ' A' ' 98' ' ' VAL . . . -70.37 -10.39 58.9 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt 61.18 35.22 18.55 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.273 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.708 HG12 ' O ' ' A' ' 21' ' ' LEU . 2.1 p -62.02 119.35 5.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.056 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.431 ' H ' ' HB2' ' A' ' 30' ' ' ASP . 89.8 p -110.8 166.8 10.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.701 179.456 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -59.08 -20.49 53.91 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.771 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -95.59 -1.24 50.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.039 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.431 ' HB2' ' H ' ' A' ' 27' ' ' SER . 80.1 m-20 -106.18 140.23 39.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.855 0.36 . . . . 0.0 110.81 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.54 HD11 ' HA ' ' A' ' 96' ' ' ALA . 1.3 pp -90.96 157.95 2.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.279 179.735 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.456 ' N ' HD12 ' A' ' 31' ' ' ILE . 93.2 t -123.51 119.54 57.62 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 CA-C-O 121.068 0.461 . . . . 0.0 111.435 179.399 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.534 ' CZ ' ' OE2' ' A' ' 95' ' ' GLU . 2.0 m-30 -115.17 107.56 15.46 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 178.37 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -124.55 142.64 51.19 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.875 -179.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.45 HD12 ' H ' ' A' ' 35' ' ' LEU . 0.9 OUTLIER -109.31 2.98 21.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.679 179.818 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -102.42 13.83 56.78 Favored Glycine 0 CA--C 1.527 0.819 0 C-N-CA 121.158 -0.544 . . . . 0.0 111.845 -179.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.1 p -42.71 -83.96 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.534 -0.466 . . . . 0.0 110.663 -179.271 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.527 ' O ' ' NH1' ' A' ' 64' ' ' ARG . . . 76.26 9.63 85.65 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.564 ' CG ' HH21 ' A' ' 41' ' ' ARG . 1.0 OUTLIER 168.26 -13.67 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.699 0.285 . . . . 0.0 110.721 179.878 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 91.55 -4.85 80.04 Favored Glycine 0 C--O 1.222 -0.651 0 N-CA-C 111.558 -0.617 . . . . 0.0 111.558 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.564 HH21 ' CG ' ' A' ' 39' ' ' ASP . 32.7 ptt-85 -59.88 -21.71 61.38 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.01 -0.676 . . . . 0.0 110.207 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.589 HD13 ' O ' ' A' ' 42' ' ' ILE . 0.3 OUTLIER -74.86 -44.8 44.95 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.211 -179.609 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.581 ' HB ' ' HB1' ' A' ' 55' ' ' ALA . 35.4 pt -90.05 -29.64 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 N-CA-C 112.133 0.419 . . . . 0.0 112.133 -179.143 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 75.9 mt -62.27 -41.6 92.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 79.7 m -66.5 -22.6 66.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.096 0.474 . . . . 0.0 110.544 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.689 ' HB1' HG11 ' A' ' 52' ' ' VAL . . . -76.57 -64.89 1.01 Allowed 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.728 179.317 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.411 ' HA ' HG22 ' A' ' 52' ' ' VAL . . . -59.59 -38.35 80.97 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.287 -179.333 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -63.46 -46.22 87.24 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.336 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -106.17 -53.21 2.67 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -178.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.555 ' N ' ' O ' ' A' ' 46' ' ' ALA . 44.4 m-85 -71.75 -6.86 44.42 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -178.493 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 58.9 t30 49.73 34.23 7.17 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.629 -0.429 . . . . 0.0 111.284 178.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.689 HG11 ' HB1' ' A' ' 46' ' ' ALA . 14.1 m -43.42 162.55 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 CA-C-O 121.296 0.569 . . . . 0.0 110.913 -179.079 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -71.95 -50.61 27.51 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.129 178.345 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.437 ' HZ1' HG21 ' A' ' 56' ' ' VAL . 12.7 ttpp -148.73 128.49 13.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.356 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.655 ' HB2' HG21 ' A' ' 52' ' ' VAL . . . -119.34 128.22 53.9 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.015 0.435 . . . . 0.0 110.369 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.437 HG21 ' HZ1' ' A' ' 54' ' ' LYS . 80.5 t -133.85 134.99 55.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.313 -179.492 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -109.44 131.06 10.3 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 109.799 -1.32 . . . . 0.0 109.799 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 86.0 t -104.37 122.46 57.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.438 ' OE2' ' OD1' ' A' ' 61' ' ' ASN . 86.1 tt0 -177.0 152.47 0.91 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.675 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.613 ' O ' HG23 ' A' ' 60' ' ' ILE . 19.2 tt -135.04 118.6 24.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 178.647 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.692 ' H ' HD13 ' A' ' 65' ' ' ILE . 26.9 m120 -150.12 -174.16 4.65 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.578 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.481 ' O ' HG22 ' A' ' 65' ' ' ILE . 66.0 t0 -113.53 -67.12 1.02 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.775 179.526 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -70.86 -38.82 73.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.577 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.527 ' NH1' ' O ' ' A' ' 38' ' ' GLY . 77.4 mtp85 -80.83 -8.2 59.64 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.616 -178.653 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.692 HD13 ' H ' ' A' ' 61' ' ' ASN . 3.8 tp -68.14 -35.4 71.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.927 -179.272 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -81.56 -27.01 34.55 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.184 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -61.31 -48.39 81.58 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.524 -0.47 . . . . 0.0 111.122 -179.043 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.23 -39.67 91.17 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.456 HD23 HD11 ' A' ' 83' ' ' ILE . 78.9 mt -61.81 -41.63 98.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.237 0.541 . . . . 0.0 109.775 179.629 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.28 -39.26 92.33 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.7 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.76 -23.91 66.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 112.031 -178.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.409 HD11 ' CD1' ' A' ' 83' ' ' ILE . 71.1 mt -70.26 -46.57 71.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 C-N-CA 120.419 -0.513 . . . . 0.0 110.545 178.166 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.62 -38.53 89.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.625 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -56.32 -41.37 75.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.363 -178.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 65.5 m-80 -94.19 4.04 54.44 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.196 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 49.39 43.79 35.33 Favored Glycine 0 CA--C 1.526 0.729 0 C-N-CA 121.046 -0.597 . . . . 0.0 111.75 178.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 5.5 m -108.5 15.58 7.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.713 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.3 p -44.76 160.78 0.03 OUTLIER 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 121.252 0.549 . . . . 0.0 111.135 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 79.24 -30.96 2.1 Favored Glycine 0 N--CA 1.45 -0.406 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.633 178.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.556 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 32.3 mtp85 -103.63 -22.69 13.55 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.32 -179.57 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -122.26 132.82 54.61 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.67 -179.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.538 ' C ' HD13 ' A' ' 83' ' ' ILE . 47.3 t -148.29 164.65 33.39 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.378 -179.522 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.722 ' N ' HD13 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -124.94 134.86 65.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.474 . . . . 0.0 109.798 178.663 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 88.4 t -118.36 124.35 72.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.219 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -98.38 153.26 18.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.493 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 134.79 -164.13 24.71 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -99.42 129.08 45.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.819 0.342 . . . . 0.0 110.566 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -46.9 -30.94 2.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.312 -179.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -62.95 -47.09 84.72 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.218 0.532 . . . . 0.0 110.438 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -61.59 -42.12 98.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.811 -178.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 2.5 m -86.51 165.84 2.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.387 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' A' ' 92' ' ' ASP . 55.5 p-10 -126.91 143.76 51.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 42.9 pt -119.16 11.32 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.012 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 118' ' ' GLU . 91.8 p -60.37 -27.56 67.5 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.615 -179.579 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.534 ' OE2' ' CZ ' ' A' ' 33' ' ' TYR . 2.6 pp20? -73.13 -20.44 60.93 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.007 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.54 ' HA ' HD11 ' A' ' 31' ' ' ILE . . . -70.62 137.9 50.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.47 . . . . 0.0 112.078 -178.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.839 HG23 HG23 ' A' ' 98' ' ' VAL . 14.3 t -99.31 -27.99 13.52 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 178.348 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.839 HG23 HG23 ' A' ' 97' ' ' THR . 93.7 t -130.28 129.14 64.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.685 -0.688 . . . . 0.0 109.731 179.452 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.484 ' CG2' HG22 ' A' ' 125' ' ' VAL . 28.0 m -136.97 153.56 29.91 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-O 120.934 0.397 . . . . 0.0 110.857 178.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 71.7 p -135.0 158.45 44.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.886 179.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 99.4 mtp -131.6 134.25 45.84 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.935 0.398 . . . . 0.0 111.02 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -153.85 91.44 1.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.894 179.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 88.3 mt -122.75 146.53 47.43 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.684 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 91.4 mt -91.08 -3.43 57.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.947 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 92.5 m -69.08 120.96 15.74 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.281 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -64.48 -41.58 96.39 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.626 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 86.9 t -129.52 125.71 62.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.892 0.377 . . . . 0.0 111.41 -179.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 52.3 p30 -161.17 173.45 15.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.082 179.104 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 49.4 mp0 -77.01 135.02 38.65 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 65.8 mtt -90.8 -46.92 7.93 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.736 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 67.8 mt 61.35 45.28 8.79 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.076 0.465 . . . . 0.0 110.136 -179.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.459 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 0.1 OUTLIER -58.65 -53.64 64.25 Favored Pre-proline 0 CA--C 1.536 0.417 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.0 -179.816 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.459 ' HD2' ' N ' ' A' ' 112' ' ' LYS . 32.5 Cg_endo -63.23 -21.92 72.3 Favored 'Trans proline' 0 N--CA 1.497 1.696 0 C-N-CA 121.65 1.566 . . . . 0.0 112.846 -179.127 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -64.31 -38.56 91.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.275 0.56 . . . . 0.0 109.699 178.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 97.5 mt -60.06 -35.4 75.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.528 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -62.95 -22.77 67.03 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.601 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -97.42 -39.01 9.39 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.577 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.459 ' O ' ' CB ' ' A' ' 94' ' ' SER . 80.6 mm-40 -74.83 -52.01 12.51 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.311 -179.573 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.439 HD13 HG21 ' A' ' 123' ' ' THR . 88.7 mt -87.0 133.85 33.54 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.837 -178.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 34.2 mmtm -72.05 152.36 92.76 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.364 179.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -58.36 142.04 97.39 Favored 'Trans proline' 0 C--N 1.31 -1.484 0 C-N-CA 121.546 1.497 . . . . 0.0 111.62 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 98.25 -5.04 60.75 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.53 -1.028 . . . . 0.0 110.53 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' THR . . . . . 0.439 HG21 HD13 ' A' ' 119' ' ' LEU . 5.9 m -70.81 147.57 48.78 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 178.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -102.11 127.5 49.0 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 -179.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.484 HG22 ' CG2' ' A' ' 99' ' ' VAL . 57.7 t -123.58 129.76 74.43 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 N-CA-C 110.172 -0.306 . . . . 0.0 110.172 178.749 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 57.5 t -121.43 124.91 72.88 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.44 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 70.7 m -101.45 154.74 18.56 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-O 120.871 0.367 . . . . 0.0 110.557 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' HIS . . . . . 0.414 ' O ' ' O ' ' A' ' 151' ' ' THR . 0.0 OUTLIER -59.1 -102.45 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.591 -178.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -112.89 -19.3 12.01 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.325 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -87.38 120.65 28.89 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.724 -178.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -71.92 161.35 31.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.506 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.598 HD12 ' CE1' ' A' ' 155' ' ' TYR . 78.1 mt -93.23 118.89 40.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.023 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 -73.76 140.07 45.66 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 89.87 -22.88 23.03 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.317 -0.713 . . . . 0.0 111.317 179.222 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 12.7 m0 -106.09 150.94 25.31 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.888 0.375 . . . . 0.0 110.827 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -105.85 117.06 58.68 Favored Pre-proline 0 CA--C 1.537 0.465 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.913 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -71.58 151.72 58.84 Favored 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 121.495 1.463 . . . . 0.0 112.293 -179.14 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 18.2 tptp -82.89 -47.92 11.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.222 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -134.61 128.95 34.16 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.679 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 66.2 t -129.21 123.52 58.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.37 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 27.3 pt -142.01 164.36 18.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.094 0.473 . . . . 0.0 111.347 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 37.9 mtpt -122.53 153.98 38.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.694 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 57.4 t -128.89 129.83 68.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.099 -0.955 . . . . 0.0 108.998 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' GLU . . . . . 0.401 ' OE1' ' N ' ' A' ' 144' ' ' GLU . 47.4 mp0 -115.61 129.28 56.45 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.877 0.37 . . . . 0.0 110.484 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -136.56 103.26 5.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.317 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 84.35 -103.02 2.58 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -127.75 16.17 6.93 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 65.4 mtt -117.2 176.84 4.96 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.346 -178.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 30.2 p30 -154.9 149.96 26.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.881 178.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -136.92 144.29 43.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.035 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.414 ' O ' ' O ' ' A' ' 128' ' ' HIS . 32.3 m -123.25 140.09 53.37 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 99.2 t -128.24 132.14 68.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.807 0.337 . . . . 0.0 110.714 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -109.7 132.21 54.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.959 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 68.4 tp -111.37 133.29 53.79 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' TYR . . . . . 0.598 ' CE1' HD12 ' A' ' 132' ' ' ILE . 85.3 m-85 -128.74 161.04 30.66 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 179.527 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 63.9 t -131.04 126.53 59.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.607 178.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' ILE . . . . . . . . . . . . . 37.0 mm -71.91 136.58 25.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.631 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 127.83 -35.7 2.7 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.311 -1.115 . . . . 0.0 110.311 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -140.34 132.18 27.52 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 160' ' ' HIS . . . . . 0.558 ' ND1' ' N ' ' A' ' 161' ' ' LYS . 32.1 p80 -126.31 -141.35 0.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.249 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 161' ' ' LYS . . . . . 0.558 ' N ' ' ND1' ' A' ' 160' ' ' HIS . 10.0 mmmt 18.89 -86.69 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.481 0 O-C-N 123.828 0.705 . . . . 0.0 112.43 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 162' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 160' ' ' HIS . . . . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.562 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.0 ttt . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.5 t -151.2 -164.8 2.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.494 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -96.22 1.52 52.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.385 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 4.4 t 48.27 58.44 17.65 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.771 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -70.75 154.13 63.98 Favored 'Trans proline' 0 C--N 1.307 -1.615 0 C-N-CA 122.654 2.236 . . . . 0.0 111.857 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -66.76 136.02 54.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.029 0.443 . . . . 0.0 110.775 -179.495 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.2 m -74.4 150.18 87.01 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.689 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -70.73 160.59 48.93 Favored 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 122.205 1.937 . . . . 0.0 111.681 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -54.92 129.49 37.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.896 0.379 . . . . 0.0 110.587 -179.37 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.712 ' O ' HG23 ' A' ' 10' ' ' VAL . 31.2 m -113.72 103.71 55.29 Favored Pre-proline 0 CA--C 1.54 0.56 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.538 -179.207 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.465 ' O ' ' O ' ' A' ' 10' ' ' VAL . 31.5 Cg_exo -55.66 -142.26 0.0 OUTLIER 'Trans proline' 0 N--CA 1.498 1.75 0 C-N-CA 122.306 2.004 . . . . 0.0 112.083 178.379 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.0 p -94.74 112.24 57.27 Favored Pre-proline 0 CA--C 1.535 0.374 0 C-N-CA 120.702 -0.399 . . . . 0.0 109.987 179.27 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.12 160.94 39.17 Favored 'Trans proline' 0 N--CA 1.49 1.307 0 C-N-CA 121.659 1.573 . . . . 0.0 112.269 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.443 ' OE2' ' OG1' ' A' ' 45' ' ' THR . 50.3 tp10 -57.99 -21.09 43.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.798 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -58.65 -36.78 74.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.369 -179.528 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 67.0 t -60.83 -46.29 96.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.027 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 54.5 t -64.19 -39.4 85.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.415 178.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -58.68 -42.37 88.37 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.221 -178.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -65.44 -37.34 86.6 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.249 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 64.0 mtt -62.36 -34.95 77.69 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.124 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.413 HD21 ' HB2' ' A' ' 46' ' ' ALA . 7.6 mp -75.25 -39.6 59.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.171 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -63.3 -44.79 93.99 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -179.107 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 39.2 pt -67.51 -35.61 73.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 -178.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.43 -8.74 53.2 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.417 -179.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt 63.48 42.01 6.99 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.993 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.419 HG22 HG11 ' A' ' 98' ' ' VAL . 92.4 t -70.7 117.75 14.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.409 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.471 ' H ' ' HB2' ' A' ' 30' ' ' ASP . 96.3 p -113.49 166.37 11.57 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.61 179.473 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -59.33 -19.27 45.13 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.914 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -96.48 -1.69 46.81 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.155 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.471 ' HB2' ' H ' ' A' ' 27' ' ' SER . 97.6 m-20 -106.08 140.08 39.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.8 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.58 HD11 ' HA ' ' A' ' 96' ' ' ALA . 1.2 pp -91.28 158.08 2.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.444 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.497 ' N ' HD12 ' A' ' 31' ' ' ILE . 94.0 t -124.87 120.77 59.52 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.539 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.409 ' OH ' ' OE2' ' A' ' 95' ' ' GLU . 1.9 m-30 -113.2 107.12 15.47 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 177.629 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.639 ' HB1' HD13 ' A' ' 42' ' ' ILE . . . -121.52 138.81 54.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.791 0.329 . . . . 0.0 111.021 -179.195 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.481 HD13 ' SD ' ' A' ' 101' ' ' MET . 0.9 OUTLIER -106.65 2.5 25.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.076 0.465 . . . . 0.0 110.422 179.656 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.466 ' O ' ' O ' ' A' ' 37' ' ' CYS . . . -95.41 15.56 63.0 Favored Glycine 0 CA--C 1.526 0.741 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.502 -179.506 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.588 ' SG ' ' N ' ' A' ' 40' ' ' GLY . 14.8 t -45.38 -101.76 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.653 0.263 . . . . 0.0 111.046 -179.433 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.585 ' N ' ' SG ' ' A' ' 37' ' ' CYS . . . 76.63 5.7 83.56 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.584 -1.006 . . . . 0.0 110.584 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.51 ' OD1' ' N ' ' A' ' 40' ' ' GLY . 54.7 p30 -177.82 -22.06 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.772 0.32 . . . . 0.0 110.504 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.588 ' N ' ' SG ' ' A' ' 37' ' ' CYS . . . 90.12 -6.86 82.44 Favored Glycine 0 C--O 1.219 -0.806 0 N-CA-C 110.483 -1.047 . . . . 0.0 110.483 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.8 tpp85 -56.9 -31.07 64.51 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.988 0.423 . . . . 0.0 110.235 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.639 HD13 ' HB1' ' A' ' 34' ' ' ALA . 17.8 tt -66.51 -44.06 90.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.473 -179.318 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.614 HG23 HG23 ' A' ' 42' ' ' ILE . 31.9 pt -89.19 -30.39 5.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.265 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.483 HD13 ' OD1' ' A' ' 71' ' ' ASN . 72.2 mt -61.88 -42.24 93.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.443 ' OG1' ' OE2' ' A' ' 14' ' ' GLU . 75.0 m -64.92 -24.16 67.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.225 0.536 . . . . 0.0 110.15 179.553 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.725 ' HB1' HG11 ' A' ' 52' ' ' VAL . . . -74.82 -65.44 0.87 Allowed 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.605 179.124 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.12 -38.63 80.07 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.779 -0.369 . . . . 0.0 111.486 -179.022 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -62.72 -46.34 88.56 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.644 -0.422 . . . . 0.0 111.475 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -106.38 -51.33 2.98 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 -178.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.582 ' N ' ' O ' ' A' ' 46' ' ' ALA . 37.2 m-85 -73.17 -6.9 48.86 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.289 0.478 . . . . 0.0 112.289 -178.58 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 58.3 t30 50.55 34.08 8.97 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.61 179.017 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.74 HG21 ' HB2' ' A' ' 55' ' ' ALA . 3.2 m -54.07 129.24 14.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.333 0.587 . . . . 0.0 111.382 -178.753 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -47.07 -47.36 22.85 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.317 -178.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.1 ttpt -143.74 125.59 15.2 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.355 -0.538 . . . . 0.0 110.375 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.74 ' HB2' HG21 ' A' ' 52' ' ' VAL . . . -121.7 127.66 50.98 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 78.8 t -133.66 134.93 56.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.329 -179.489 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -107.2 127.61 8.88 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 109.818 -1.313 . . . . 0.0 109.818 178.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 84.4 t -98.92 119.9 47.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.538 ' OE2' ' ND2' ' A' ' 61' ' ' ASN . 87.4 tt0 -172.38 147.98 2.01 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.922 -179.418 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.677 ' O ' HG23 ' A' ' 60' ' ' ILE . 19.0 tt -132.27 112.03 18.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 178.514 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.538 ' ND2' ' OE2' ' A' ' 59' ' ' GLU . 97.3 m-20 -148.5 171.23 16.42 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.6 ' O ' HG22 ' A' ' 65' ' ' ILE . 67.6 t0 -99.72 -67.44 0.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.621 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -69.58 -39.44 77.32 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.038 0.385 . . . . 0.0 112.038 -179.03 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -75.11 -7.77 54.7 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.574 -178.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.6 HG22 ' O ' ' A' ' 62' ' ' ASP . 16.1 tt -62.68 -37.98 80.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 120.342 -0.543 . . . . 0.0 111.298 -179.084 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.44 ' N ' ' CG2' ' A' ' 65' ' ' ILE . 9.2 ptm180 -80.38 -28.94 37.83 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.636 -178.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -61.24 -49.64 76.28 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.46 -0.496 . . . . 0.0 111.38 -178.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.67 -41.22 97.25 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.281 0.475 . . . . 0.0 112.281 -178.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.6 mt -62.79 -41.63 99.35 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.204 0.525 . . . . 0.0 110.473 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.8 -40.03 95.66 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.789 -178.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.483 ' OD1' HD13 ' A' ' 44' ' ' ILE . 54.6 t-20 -60.42 -43.63 96.55 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.499 -178.735 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 76.2 mt -56.63 -46.83 82.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.952 -0.299 . . . . 0.0 111.252 -178.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -63.04 -40.42 97.67 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.029 -0.668 . . . . 0.0 109.657 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.65 -39.16 73.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.385 -179.277 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.434 ' OD1' ' OD1' ' A' ' 71' ' ' ASN . 31.6 m120 -94.09 3.33 55.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.39 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 48.88 43.35 30.54 Favored Glycine 0 CA--C 1.524 0.634 0 C-N-CA 121.051 -0.595 . . . . 0.0 111.895 178.117 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 4.4 m -110.34 16.54 7.83 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 116.767 0.284 . . . . 0.0 111.502 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.3 p -46.2 162.96 0.03 OUTLIER 'General case' 0 CA--C 1.517 -0.302 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.783 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 78.17 -36.23 1.73 Allowed Glycine 0 CA--C 1.522 0.509 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.351 178.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.661 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 68.0 mtt180 -97.85 -24.54 15.38 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 120.529 -0.468 . . . . 0.0 109.989 -179.601 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -121.08 131.86 54.52 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.229 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.486 ' C ' HD13 ' A' ' 83' ' ' ILE . 46.7 t -147.95 164.94 32.19 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.149 -179.56 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.595 ' N ' HD13 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -124.91 133.4 69.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 178.887 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 94.3 t -121.96 128.88 75.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.409 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 29.3 mtmm -98.33 151.63 20.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.924 -179.528 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 147.38 -165.38 28.67 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -104.36 140.39 37.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.182 0.515 . . . . 0.0 110.883 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -55.41 -43.14 74.99 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.795 -179.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -65.19 -41.51 94.48 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.531 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -69.43 -41.45 76.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.779 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 2.3 p -81.01 146.84 6.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 121.06 0.457 . . . . 0.0 111.419 -178.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -111.89 130.61 55.77 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.666 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 42.8 pt -110.22 21.02 5.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.639 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 46.9 t -57.19 -35.88 70.15 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.805 -178.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.409 ' OE2' ' OH ' ' A' ' 33' ' ' TYR . 10.2 pt-20 -67.62 -20.46 65.35 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.599 -179.439 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.58 ' HA ' HD11 ' A' ' 31' ' ' ILE . . . -69.12 134.16 48.97 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.551 0.575 . . . . 0.0 112.551 -178.323 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.845 HG23 HG23 ' A' ' 98' ' ' VAL . 8.8 t -99.0 -25.9 14.42 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.192 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.845 HG23 HG23 ' A' ' 97' ' ' THR . 98.7 t -131.39 131.04 63.22 Favored 'Isoleucine or valine' 0 C--O 1.231 0.118 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.192 179.276 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 71.3 t -133.46 142.01 42.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.693 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 67.1 p -131.89 156.53 45.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.666 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.481 ' SD ' HD13 ' A' ' 35' ' ' LEU . 97.6 mmm -129.39 137.07 50.72 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.447 179.677 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.589 ' O ' HD12 ' A' ' 103' ' ' LEU . 80.2 t80 -150.52 94.06 2.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.091 179.354 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.589 HD12 ' O ' ' A' ' 102' ' ' PHE . 8.2 mp -124.17 127.19 47.39 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.345 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 92.4 mt -63.67 -39.75 95.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.509 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 12.4 t -154.56 179.58 8.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.829 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 63.7 t30 57.78 45.86 18.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.165 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.456 HG21 ' CD1' ' A' ' 130' ' ' PHE . 79.1 t -62.3 -40.85 89.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 179.541 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.533 ' O ' ' N ' ' A' ' 110' ' ' MET . 29.9 m120 58.93 54.03 5.32 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.559 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -58.01 79.4 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.8 0.334 . . . . 0.0 110.237 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.533 ' N ' ' O ' ' A' ' 108' ' ' ASN . 67.9 mtt -103.96 24.72 10.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.994 -179.633 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.404 ' O ' ' O ' ' A' ' 110' ' ' MET . 1.0 OUTLIER 61.71 131.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.569 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -130.31 65.98 77.04 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.067 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.67 -16.41 33.72 Favored 'Trans proline' 0 N--CA 1.495 1.579 0 C-N-CA 122.481 2.121 . . . . 0.0 111.543 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -58.12 -23.88 56.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.541 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 95.9 mt -59.63 -27.86 66.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.618 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.53 ' OE2' ' CD2' ' A' ' 160' ' ' HIS . 79.5 mm-40 -68.83 -20.49 64.3 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.785 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -96.98 -37.55 10.14 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.399 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -78.04 -51.95 9.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.8 0.333 . . . . 0.0 111.261 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.459 HD13 HG21 ' A' ' 123' ' ' THR . 85.2 mt -85.42 133.88 34.09 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.335 -179.457 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -74.78 151.45 86.76 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.834 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -53.74 140.0 67.37 Favored 'Trans proline' 0 N--CA 1.495 1.565 0 C-N-CA 121.385 1.39 . . . . 0.0 111.925 179.25 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 100.74 -6.6 57.22 Favored Glycine 0 CA--C 1.519 0.313 0 N-CA-C 110.851 -0.899 . . . . 0.0 110.851 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' THR . . . . . 0.459 HG21 HD13 ' A' ' 119' ' ' LEU . 6.5 m -70.97 144.07 50.63 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 178.637 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.451 ' CZ ' ' CG2' ' A' ' 98' ' ' VAL . 0.9 OUTLIER -101.58 131.44 47.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.114 0.483 . . . . 0.0 110.495 -179.703 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 64.2 t -124.28 130.09 73.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.036 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 63.3 t -118.98 122.79 70.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.148 -179.167 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 71.0 m -97.75 154.22 17.74 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.906 0.384 . . . . 0.0 110.475 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' HIS . . . . . 0.592 ' ND1' ' N ' ' A' ' 128' ' ' HIS . 0.0 OUTLIER -62.78 -101.47 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.952 -179.382 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -112.71 -19.11 12.16 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.687 0.28 . . . . 0.0 111.524 -179.368 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.456 ' CD1' HG21 ' A' ' 107' ' ' VAL . 96.4 m-85 -88.39 122.54 32.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.115 0.483 . . . . 0.0 110.941 -179.047 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -74.33 141.62 45.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.35 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.468 HD12 ' CD1' ' A' ' 155' ' ' TYR . 82.8 mt -75.75 114.82 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.331 -0.548 . . . . 0.0 109.609 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -71.47 140.42 49.99 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.835 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 91.73 -23.61 24.87 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.328 -0.709 . . . . 0.0 111.328 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 12.8 m0 -103.85 148.94 25.54 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.976 0.417 . . . . 0.0 111.374 -179.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -100.95 115.06 65.76 Favored Pre-proline 0 CA--C 1.539 0.548 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.854 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.87 149.0 52.95 Favored 'Trans proline' 0 N--CA 1.493 1.488 0 C-N-CA 121.53 1.487 . . . . 0.0 112.273 -179.061 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -85.33 -50.88 6.97 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -133.75 142.83 48.11 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.223 178.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -153.08 132.19 3.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.583 179.329 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 22.4 pt -140.55 167.24 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.92 0.39 . . . . 0.0 111.094 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 19.1 mtmt -118.34 150.97 38.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.14 179.308 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 58.9 t -126.63 128.83 71.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.637 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -112.63 119.3 37.64 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -139.17 99.97 3.89 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.523 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 95.75 -117.41 5.65 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -119.19 17.23 13.18 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.791 0.329 . . . . 0.0 110.408 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 97.8 mmm -140.23 158.47 43.98 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.267 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 55.6 p30 -128.42 164.53 22.51 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.309 0.576 . . . . 0.0 111.038 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -137.02 147.29 46.13 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.049 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 59.5 m -126.45 142.1 51.65 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 7.9 p -133.88 142.68 40.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.775 0.321 . . . . 0.0 110.647 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -117.31 134.31 54.96 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.262 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 63.5 tp -113.65 119.62 38.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.685 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 155' ' ' TYR . . . . . 0.468 ' CD1' HD12 ' A' ' 132' ' ' ILE . 93.6 m-85 -112.61 170.17 8.38 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.109 0.481 . . . . 0.0 109.841 179.401 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 3.6 p -138.98 128.8 31.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.139 178.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 157' ' ' ILE . . . . . . . . . . . . . 39.5 mm -70.52 132.14 33.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.149 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 122.42 -44.0 1.39 Allowed Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -127.99 100.85 6.06 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.852 0.358 . . . . 0.0 110.497 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 160' ' ' HIS . . . . . 0.53 ' CD2' ' OE2' ' A' ' 116' ' ' GLU . 29.1 p80 -161.46 156.67 23.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.743 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.81 148.19 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 -179.436 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.63 -179.521 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.8 mtt . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.9 p -155.13 164.0 39.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.543 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -122.22 142.62 50.25 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.498 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.686 ' O ' HG23 ' A' ' 4' ' ' VAL . 33.1 m -130.77 76.15 77.65 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.843 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -55.79 141.3 85.06 Favored 'Trans proline' 0 C--N 1.306 -1.668 0 C-N-CA 122.716 2.277 . . . . 0.0 112.005 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 63.2 t-80 -150.46 62.43 0.95 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.3 t -145.14 58.57 5.27 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.53 179.5 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -73.58 145.48 37.48 Favored 'Trans proline' 0 C--N 1.302 -1.869 0 C-N-CA 122.819 2.346 . . . . 0.0 112.158 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -135.69 117.81 15.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.292 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.726 ' O ' HG23 ' A' ' 10' ' ' VAL . 31.8 m -127.74 102.23 22.78 Favored Pre-proline 0 CA--C 1.536 0.427 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.764 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -79.45 142.81 16.76 Favored 'Trans proline' 0 N--CA 1.489 1.241 0 C-N-CA 121.621 1.547 . . . . 0.0 111.637 179.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 80.1 p -72.74 154.89 91.18 Favored Pre-proline 0 C--N 1.329 -0.311 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.629 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.733 ' HB2' ' HZ2' ' A' ' 15' ' ' LYS . 76.6 Cg_exo -52.4 145.09 37.76 Favored 'Trans proline' 0 N--CA 1.492 1.404 0 C-N-CA 121.554 1.502 . . . . 0.0 111.122 177.683 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.415 ' O ' HG12 ' A' ' 17' ' ' VAL . 98.7 mt-10 -59.55 -37.65 78.97 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.624 -178.635 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.733 ' HZ2' ' HB2' ' A' ' 13' ' ' PRO . 4.7 ptpp? -53.68 -19.2 3.76 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.707 -178.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 77.3 t -63.3 -44.62 99.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 120.659 -0.417 . . . . 0.0 110.915 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.415 HG12 ' O ' ' A' ' 14' ' ' GLU . 1.9 p -68.2 -28.57 41.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.842 -179.618 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.476 HH22 ' CG ' ' A' ' 49' ' ' ASP . 12.4 mmt180 -61.02 -43.13 99.34 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.776 -179.467 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.414 ' O ' HG23 ' A' ' 23' ' ' ILE . 9.2 mmt180 -67.75 -37.56 82.31 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.911 179.264 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.502 ' HG2' HG21 ' A' ' 152' ' ' VAL . 95.5 mtp -61.89 -35.32 78.0 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.009 -179.561 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.6 mp -76.58 -40.91 48.2 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.078 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -62.87 -44.94 94.77 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 111.933 0.345 . . . . 0.0 111.933 -179.347 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.414 HG23 ' O ' ' A' ' 19' ' ' ARG . 35.5 pt -64.66 -36.5 77.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 C-N-CA 120.606 -0.438 . . . . 0.0 110.386 -179.06 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.49 -6.9 43.96 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.938 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm 62.35 40.41 11.24 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.386 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 78.4 t -66.47 118.85 10.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.556 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.455 ' H ' ' HB2' ' A' ' 30' ' ' ASP . 70.1 m -113.75 164.05 14.22 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.536 179.709 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.2 pt20 -58.47 -18.7 30.88 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.918 -179.216 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -97.79 -0.29 45.53 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.874 -0.33 . . . . 0.0 111.345 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.455 ' HB2' ' H ' ' A' ' 27' ' ' SER . 97.3 m-20 -104.75 135.95 45.18 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.741 0.305 . . . . 0.0 111.269 -179.518 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.676 HD13 ' CE2' ' A' ' 33' ' ' TYR . 1.0 OUTLIER -86.58 153.72 3.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.112 179.586 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.562 ' N ' HD12 ' A' ' 31' ' ' ILE . 89.7 t -124.55 117.49 50.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.447 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.812 ' CD1' ' HB2' ' A' ' 96' ' ' ALA . 10.9 m-30 -114.51 113.9 25.06 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 176.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.678 ' HB1' HD13 ' A' ' 42' ' ' ILE . . . -120.8 136.78 54.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.438 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 77.1 mt -96.33 -5.25 40.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.442 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -111.17 53.02 0.6 Allowed Glycine 0 CA--C 1.527 0.8 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.407 -178.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.513 ' SG ' ' O ' ' A' ' 58' ' ' VAL . 0.5 OUTLIER -71.26 -86.55 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.571 -0.452 . . . . 0.0 109.902 179.148 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.8 6.22 89.15 Favored Glycine 0 CA--C 1.524 0.633 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.527 179.254 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.445 ' CB ' ' NH2' ' A' ' 41' ' ' ARG . 1.1 p30 171.1 -15.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.534 0.207 . . . . 0.0 111.01 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 91.15 -3.09 79.95 Favored Glycine 0 C--O 1.219 -0.835 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.445 ' NH2' ' CB ' ' A' ' 39' ' ' ASP . 84.7 mtt85 -61.56 -24.31 66.56 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 122.316 -0.52 . . . . 0.0 110.594 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.678 HD13 ' HB1' ' A' ' 34' ' ' ALA . 13.6 tt -71.67 -41.96 71.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.815 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.593 HG23 HG23 ' A' ' 42' ' ' ILE . 39.3 pt -92.01 -30.82 4.7 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -179.036 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.517 HD13 ' OD1' ' A' ' 71' ' ' ASN . 72.8 mt -62.0 -41.64 91.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.554 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 73.3 m -65.76 -21.98 66.55 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.08 0.467 . . . . 0.0 110.244 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.664 ' HB1' HG11 ' A' ' 52' ' ' VAL . . . -77.12 -65.22 0.98 Allowed 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.959 179.17 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.84 -38.42 82.01 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.442 -179.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -62.89 -48.04 80.72 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.496 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.476 ' CG ' HH22 ' A' ' 18' ' ' ARG . 12.3 t70 -105.68 -49.2 3.47 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -178.152 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.551 ' N ' ' O ' ' A' ' 46' ' ' ALA . 39.7 m-85 -75.46 -5.84 47.08 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.566 -0.453 . . . . 0.0 112.102 -178.354 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 59.0 t30 49.45 34.57 6.85 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.746 178.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.668 HG21 ' HB2' ' A' ' 55' ' ' ALA . 15.6 m -45.14 164.19 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.494 0 CA-C-O 121.278 0.561 . . . . 0.0 110.818 -179.167 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -73.54 -50.8 19.55 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.169 178.037 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.1 ttpt -147.45 128.74 14.8 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.37 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.668 ' HB2' HG21 ' A' ' 52' ' ' VAL . . . -120.79 125.77 48.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.235 0.54 . . . . 0.0 110.638 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.6 t -133.12 137.06 54.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.701 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -124.22 138.05 11.06 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 109.919 -1.272 . . . . 0.0 109.919 178.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.513 ' O ' ' SG ' ' A' ' 37' ' ' CYS . 63.0 t -93.43 115.53 32.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 119.785 -0.766 . . . . 0.0 109.809 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -136.76 122.64 20.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.387 -179.351 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.717 ' O ' HG23 ' A' ' 60' ' ' ILE . 18.5 tt -128.32 98.38 4.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.841 179.161 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -150.65 -174.42 4.76 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.528 ' O ' HG22 ' A' ' 65' ' ' ILE . 66.6 t0 -110.78 -67.93 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.769 0.319 . . . . 0.0 111.225 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -70.71 -38.63 73.64 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.894 0.378 . . . . 0.0 111.703 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 85.5 mtp180 -80.71 -7.81 59.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.719 -178.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.528 HG22 ' O ' ' A' ' 62' ' ' ASP . 12.5 tt -65.02 -37.52 80.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 119.96 -0.696 . . . . 0.0 110.722 -179.119 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.406 ' N ' ' CG2' ' A' ' 65' ' ' ILE . 8.6 ptm180 -79.37 -27.65 41.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.013 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.53 -47.43 85.63 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.576 -0.45 . . . . 0.0 111.074 -179.234 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.19 -40.97 95.92 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -178.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.425 HD23 HD11 ' A' ' 83' ' ' ILE . 35.4 mt -61.91 -40.34 95.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.059 0.457 . . . . 0.0 110.521 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.69 -38.86 92.69 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.548 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.523 ' OD1' ' ND2' ' A' ' 75' ' ' ASN . 55.6 t-20 -59.89 -44.93 93.94 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.768 -0.373 . . . . 0.0 111.201 -178.509 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.8 mp -55.66 -46.66 79.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.974 -178.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -63.52 -40.34 96.77 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.196 -0.602 . . . . 0.0 110.042 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -56.7 -38.88 72.92 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.297 -179.094 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.523 ' ND2' ' OD1' ' A' ' 71' ' ' ASN . 66.1 m-80 -92.94 3.96 54.79 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.771 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 48.6 42.36 27.35 Favored Glycine 0 CA--C 1.526 0.745 0 C-N-CA 120.768 -0.729 . . . . 0.0 111.737 178.172 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 5.1 m -109.67 16.34 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 120.921 -0.311 . . . . 0.0 111.7 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.5 p -48.17 163.43 0.07 Allowed 'General case' 0 CA--C 1.514 -0.409 0 CA-C-O 121.419 0.628 . . . . 0.0 111.054 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 76.58 -31.31 1.44 Allowed Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 114.817 -1.083 . . . . 0.0 111.358 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 64.6 mtt180 -103.44 -24.83 13.43 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-N 117.099 0.45 . . . . 0.0 110.233 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -122.08 133.71 54.77 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.587 -179.146 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.1 t -146.97 164.28 33.46 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.271 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.425 HD11 HD23 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -127.04 137.31 58.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.884 178.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 95.4 t -125.96 129.98 72.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.725 -179.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -97.48 152.95 18.46 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.059 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 141.75 -160.76 27.06 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.874 ' O ' HG23 ' A' ' 91' ' ' VAL . 98.4 m-20 -105.06 132.25 51.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.111 0.481 . . . . 0.0 111.308 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -56.09 -40.3 73.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.321 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -63.75 -37.11 86.12 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.302 0.572 . . . . 0.0 109.519 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.5 tp10 -82.97 0.78 43.02 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.709 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.874 HG23 ' O ' ' A' ' 87' ' ' ASN . 94.1 t -106.49 126.06 62.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 CA-C-O 121.08 0.467 . . . . 0.0 111.489 -179.653 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -88.88 117.81 28.14 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.418 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 35.3 pt -117.47 17.96 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.171 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 89.9 p -59.17 -28.7 66.85 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.497 -178.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -74.05 -18.44 60.83 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.693 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.812 ' HB2' ' CD1' ' A' ' 33' ' ' TYR . . . -69.55 135.76 50.46 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.914 0.388 . . . . 0.0 111.822 -178.416 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.785 HG23 HG23 ' A' ' 98' ' ' VAL . 14.6 t -98.21 -26.55 14.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.269 179.547 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.785 HG23 HG23 ' A' ' 97' ' ' THR . 93.4 t -130.75 128.17 62.66 Favored 'Isoleucine or valine' 0 C--O 1.232 0.146 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.366 179.452 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 80.0 t -132.92 140.65 46.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.266 0.555 . . . . 0.0 111.05 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 69.1 p -132.49 157.98 43.25 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.173 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 99.4 mtp -127.16 135.42 50.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.829 0.347 . . . . 0.0 110.851 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -149.31 91.4 1.83 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.116 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.1 pp -162.3 163.22 28.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.61 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -135.49 22.92 3.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.395 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 73.4 p -129.84 159.97 34.93 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.741 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.424 ' O ' ' C ' ' A' ' 107' ' ' VAL . 72.4 m-20 46.29 -146.49 0.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.432 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.424 ' C ' ' O ' ' A' ' 106' ' ' ASN . 3.9 t 32.08 44.16 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.302 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -62.47 -39.46 93.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.249 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.23 -39.67 93.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.021 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 65.7 mtt 58.6 27.75 16.16 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.805 -179.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 93.8 mt -130.63 132.35 45.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.686 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.923 ' NZ ' HD11 ' A' ' 115' ' ' LEU . 15.1 pttp -161.94 76.42 2.21 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.797 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_exo -56.63 -12.87 9.52 Favored 'Trans proline' 0 N--CA 1.497 1.722 0 C-N-CA 123.237 2.625 . . . . 0.0 112.021 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -58.27 -18.13 24.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.816 -178.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.923 HD11 ' NZ ' ' A' ' 112' ' ' LYS . 94.6 mt -60.24 -36.81 78.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.014 0.435 . . . . 0.0 109.923 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -64.14 -23.06 67.18 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.904 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.456 ' N ' ' CD ' ' A' ' 117' ' ' LYS . 2.7 mptp? -94.64 -40.77 9.65 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.039 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -78.14 -50.87 11.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.152 -178.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.754 HD23 HG21 ' A' ' 123' ' ' THR . 6.0 mp -85.42 135.31 33.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.83 0.348 . . . . 0.0 110.293 -179.477 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -72.62 150.46 91.14 Favored Pre-proline 0 CA--C 1.535 0.378 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.537 -179.477 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.49 141.27 73.73 Favored 'Trans proline' 0 N--CA 1.498 1.744 0 C-N-CA 121.648 1.566 . . . . 0.0 112.064 179.015 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 98.49 -6.19 60.91 Favored Glycine 0 C--O 1.227 -0.321 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' THR . . . . . 0.754 HG21 HD23 ' A' ' 119' ' ' LEU . 3.4 m -71.32 149.34 46.19 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 178.695 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.534 ' N ' ' CD ' ' A' ' 124' ' ' ARG . 0.0 OUTLIER -105.86 129.29 54.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.563 -179.362 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 60.9 t -122.83 129.11 75.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.029 179.163 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 49.1 t -118.61 123.11 71.02 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.131 0 C-N-CA 121.082 -0.247 . . . . 0.0 110.839 -179.382 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 41.3 t -95.74 145.17 25.52 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.945 0.402 . . . . 0.0 110.526 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' HIS . . . . . 0.465 ' CG ' ' N ' ' A' ' 129' ' ' GLU . 22.0 t-160 -51.75 -105.02 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.542 -179.323 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.465 ' N ' ' CG ' ' A' ' 128' ' ' HIS . 88.2 tt0 -104.29 -36.01 7.77 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.399 -179.406 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -76.64 139.87 40.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.997 0.427 . . . . 0.0 111.199 -179.027 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.45 ' OE1' ' N ' ' A' ' 131' ' ' GLU . 20.5 pm0 -86.19 162.9 18.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.467 179.484 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.518 HD12 ' CE1' ' A' ' 155' ' ' TYR . 77.9 mt -93.45 117.94 38.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.285 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -73.12 139.81 46.68 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 179.186 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 90.55 -21.67 31.35 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.435 -0.666 . . . . 0.0 111.435 179.313 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 13.6 m0 -106.45 152.91 23.02 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.828 0.347 . . . . 0.0 110.914 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -107.6 120.28 47.89 Favored Pre-proline 0 CA--C 1.536 0.442 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.86 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -73.08 150.33 48.01 Favored 'Trans proline' 0 N--CA 1.493 1.466 0 C-N-CA 121.738 1.625 . . . . 0.0 112.389 -179.271 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -84.04 -46.95 11.46 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 179.301 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -134.53 133.2 40.04 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.444 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 65.4 t -130.11 124.2 57.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.242 179.111 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 24.4 pt -142.36 162.78 18.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.625 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.412 ' CG ' ' OG1' ' A' ' 151' ' ' THR . 19.5 mtmt -121.47 153.25 38.16 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.949 -1.023 . . . . 0.0 111.558 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 63.1 t -126.4 130.3 71.88 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.288 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -113.24 122.69 48.23 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.229 -0.285 . . . . 0.0 110.229 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -143.15 99.75 3.51 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.623 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 95.37 -120.34 6.48 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -114.36 14.6 17.99 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.682 0.277 . . . . 0.0 110.625 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 63.6 mtt -140.22 157.7 45.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.459 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 57.0 p30 -128.11 165.38 20.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.089 0.471 . . . . 0.0 110.649 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -136.87 146.95 46.18 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.389 -179.501 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.412 ' OG1' ' CG ' ' A' ' 142' ' ' LYS . 53.5 m -125.03 141.63 52.0 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.502 HG21 ' HG2' ' A' ' 20' ' ' MET . 9.9 p -134.81 140.2 45.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.858 0.361 . . . . 0.0 110.075 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -111.77 136.49 50.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.233 -179.108 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 66.4 tp -114.31 130.56 56.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.367 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 155' ' ' TYR . . . . . 0.518 ' CE1' HD12 ' A' ' 132' ' ' ILE . 91.8 m-85 -126.81 163.61 23.2 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 2.4 p -134.49 127.56 50.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.663 178.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 157' ' ' ILE . . . . . . . . . . . . . 38.7 mm -70.96 136.7 25.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.47 -0.787 . . . . 0.0 110.871 -179.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 136.05 -33.54 2.37 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 109.468 -1.453 . . . . 0.0 109.468 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -149.45 100.5 3.01 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 178.335 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 22.5 p80 -69.8 -28.43 65.72 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -178.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 49.1 mtpt -101.48 -171.82 2.05 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.63 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.452 179.907 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.1 tpp . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.433 ' OG ' ' CD1' ' A' ' 3' ' ' TYR . 46.9 t -152.06 143.9 23.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.664 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.433 ' CD1' ' OG ' ' A' ' 2' ' ' SER . 94.8 m-85 54.65 41.52 31.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.627 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.689 HG22 ' O ' ' A' ' 4' ' ' VAL . 7.6 p -128.79 59.78 45.37 Favored Pre-proline 0 C--N 1.332 -0.191 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.619 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.71 -16.81 37.95 Favored 'Trans proline' 0 C--N 1.308 -1.554 0 C-N-CA 122.729 2.286 . . . . 0.0 112.114 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 79.9 m80 -106.55 160.99 15.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.376 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.658 ' O ' HG22 ' A' ' 7' ' ' VAL . 7.3 p -128.37 63.7 64.7 Favored Pre-proline 0 C--N 1.332 -0.169 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.921 -179.738 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.732 ' O ' HG13 ' A' ' 10' ' ' VAL . 74.0 Cg_endo -74.23 160.3 42.57 Favored 'Trans proline' 0 C--N 1.307 -1.622 0 C-N-CA 123.158 2.572 . . . . 0.0 112.58 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.463 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 0.1 OUTLIER -50.27 121.96 6.27 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.973 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.732 HG13 ' O ' ' A' ' 8' ' ' PRO . 32.7 m -128.55 115.73 19.62 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 114.703 -1.135 . . . . 0.0 109.016 179.367 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -55.72 154.8 24.4 Favored 'Trans proline' 0 N--CA 1.489 1.263 0 C-N-CA 121.096 1.197 . . . . 0.0 111.552 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 75.2 p -50.4 150.03 5.0 Favored Pre-proline 0 CA--C 1.533 0.314 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.438 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -68.13 162.39 40.36 Favored 'Trans proline' 0 N--CA 1.495 1.61 0 C-N-CA 122.413 2.076 . . . . 0.0 112.461 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -64.37 -17.76 64.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.838 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.86 -41.97 96.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.923 0.392 . . . . 0.0 110.249 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.4 t -61.82 -46.4 96.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.083 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 57.0 t -63.14 -39.52 85.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.497 . . . . 0.0 109.93 178.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 27.1 mmm-85 -59.46 -41.93 90.85 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.211 -179.347 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -68.32 -38.11 81.23 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.599 -0.44 . . . . 0.0 111.112 179.068 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 92.1 mtp -62.31 -36.79 83.25 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.663 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 90.1 mt -71.17 -40.66 71.14 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.696 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -64.78 -45.37 86.63 Favored 'General case' 0 CA--C 1.519 -0.213 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -178.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 38.6 pt -67.26 -35.96 75.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.07 -178.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.77 -9.85 53.24 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.189 -179.358 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.3 mmmt 63.46 44.85 5.11 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.928 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 91.1 t -73.4 115.69 14.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.308 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.473 ' H ' ' HB2' ' A' ' 30' ' ' ASP . 67.5 m -112.15 165.58 12.02 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.661 179.623 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -58.04 -22.02 48.13 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.018 -179.079 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 57.2 p30 -96.12 5.34 51.31 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.653 -0.419 . . . . 0.0 111.157 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.473 ' HB2' ' H ' ' A' ' 27' ' ' SER . 97.0 m-20 -111.77 140.61 46.27 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.66 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.553 HD11 ' HA ' ' A' ' 96' ' ' ALA . 1.3 pp -93.7 159.74 2.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.807 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.494 ' N ' HD12 ' A' ' 31' ' ' ILE . 86.6 t -125.85 122.28 61.66 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.4 179.169 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.548 ' CZ ' ' OE2' ' A' ' 95' ' ' GLU . 2.0 m-30 -114.76 117.48 30.89 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 177.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.569 ' HB1' HD13 ' A' ' 42' ' ' ILE . . . -134.79 143.09 46.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.889 0.376 . . . . 0.0 110.898 -179.559 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.474 HD12 ' H ' ' A' ' 35' ' ' LEU . 0.7 OUTLIER -110.56 5.08 20.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.565 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.435 ' O ' ' O ' ' A' ' 37' ' ' CYS . . . -99.26 9.16 61.01 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.435 ' O ' ' O ' ' A' ' 36' ' ' GLY . 0.6 OUTLIER -41.73 -94.65 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.601 -179.538 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.36 11.69 82.24 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.434 -1.066 . . . . 0.0 110.434 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 178.83 -23.45 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.83 0.348 . . . . 0.0 110.586 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 91.42 -4.42 80.06 Favored Glycine 0 C--O 1.22 -0.737 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -59.92 -36.44 77.02 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.3 -0.56 . . . . 0.0 110.622 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.619 HG23 HG23 ' A' ' 43' ' ' ILE . 18.2 tt -60.25 -43.92 94.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.196 -179.443 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.619 HG23 HG23 ' A' ' 42' ' ' ILE . 36.6 pt -88.6 -31.84 5.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -179.121 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.452 HD13 ' OD1' ' A' ' 71' ' ' ASN . 67.0 mt -61.82 -41.13 89.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -179.713 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 91.1 m -64.27 -26.68 68.6 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.406 0.622 . . . . 0.0 109.341 179.07 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.742 ' HB1' HG11 ' A' ' 52' ' ' VAL . . . -70.25 -68.34 0.43 Allowed 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.843 179.095 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.88 -37.68 77.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.671 -178.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -62.75 -45.43 92.75 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.212 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -108.04 -53.39 2.63 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.538 0.569 . . . . 0.0 112.538 -178.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.572 ' N ' ' O ' ' A' ' 46' ' ' ALA . 50.6 m-85 -70.69 -8.24 50.53 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.872 -178.582 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.539 ' OD1' ' NH1' ' A' ' 80' ' ' ARG . 46.1 t-20 51.12 34.5 11.18 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.704 -0.399 . . . . 0.0 111.475 179.033 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.742 HG11 ' HB1' ' A' ' 46' ' ' ALA . 3.1 m -55.23 127.47 14.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.365 0.603 . . . . 0.0 111.336 -178.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -45.53 -46.5 14.01 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.001 -0.999 . . . . 0.0 110.434 -178.282 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.486 ' HZ1' HG21 ' A' ' 56' ' ' VAL . 11.5 ttpp -143.14 128.6 19.0 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.403 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.678 ' HB2' HG21 ' A' ' 52' ' ' VAL . . . -125.72 127.05 45.61 Favored 'General case' 0 C--N 1.334 -0.098 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.486 HG21 ' HZ1' ' A' ' 54' ' ' LYS . 88.2 t -132.36 134.22 59.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.6 -179.323 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -113.34 133.14 11.07 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 110.276 -1.129 . . . . 0.0 110.276 178.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 86.5 t -106.99 126.27 63.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.44 ' OE2' ' N ' ' A' ' 61' ' ' ASN . 6.7 tm-20 -179.17 152.93 0.57 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.889 -179.429 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.587 ' O ' HG23 ' A' ' 60' ' ' ILE . 17.7 tt -136.12 119.57 23.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.653 179.254 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.46 ' OD1' ' O ' ' A' ' 60' ' ' ILE . 97.3 m-20 -149.32 172.2 15.28 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.489 ' O ' HG22 ' A' ' 65' ' ' ILE . 98.1 m-20 -102.26 -67.27 0.88 Allowed 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 120.671 -0.412 . . . . 0.0 111.392 179.748 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 55.1 mp0 -67.83 -39.27 83.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.713 -179.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 84.0 mtt85 -73.07 -7.8 52.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 -179.063 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.644 HD12 ' NZ ' ' A' ' 85' ' ' LYS . 16.5 tt -52.79 -42.44 42.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.553 -179.307 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.557 ' N ' HG23 ' A' ' 65' ' ' ILE . 37.1 ptt180 -78.07 -30.9 49.95 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.531 -179.353 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -67.3 -22.89 65.61 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.018 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -85.07 -56.66 3.44 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.34 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.44 HD23 HD11 ' A' ' 83' ' ' ILE . 39.0 mt -62.23 -40.44 96.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.235 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.69 -38.74 92.27 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.686 -179.298 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.452 ' OD1' HD13 ' A' ' 44' ' ' ILE . 55.4 t-20 -59.57 -47.33 85.98 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.389 -0.524 . . . . 0.0 110.602 -178.483 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.8 mp -55.15 -46.41 77.63 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 C-N-CA 120.697 -0.401 . . . . 0.0 111.035 -178.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.92 -40.02 95.51 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.173 -0.611 . . . . 0.0 109.958 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -57.28 -39.99 76.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.221 -179.213 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -91.21 2.29 56.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.203 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 50.12 42.17 39.64 Favored Glycine 0 CA--C 1.525 0.697 0 C-N-CA 121.12 -0.562 . . . . 0.0 112.049 178.011 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.4 m -107.94 17.33 6.85 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.265 0 CA-C-N 116.936 0.368 . . . . 0.0 111.364 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.7 p -50.16 159.7 0.42 Allowed 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 121.674 0.75 . . . . 0.0 111.185 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 77.76 -12.34 16.71 Favored Glycine 0 CA--C 1.524 0.646 0 CA-C-N 114.372 -1.285 . . . . 0.0 111.223 178.28 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.539 ' NH1' ' OD1' ' A' ' 51' ' ' ASN . 6.9 mtp180 -121.15 -26.56 5.08 Favored 'General case' 0 CA--C 1.521 -0.135 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 179.39 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -120.56 133.98 55.33 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.839 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.0 t -147.39 163.82 35.25 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.675 -179.226 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.44 HD11 HD23 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -128.71 139.78 50.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.965 179.118 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 83.6 t -123.15 125.38 71.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.547 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.644 ' NZ ' HD12 ' A' ' 65' ' ' ILE . 46.9 mtpt -95.97 152.75 18.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.036 0.446 . . . . 0.0 110.812 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 137.47 -158.42 24.46 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.117 -1.193 . . . . 0.0 110.117 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -95.01 136.71 34.99 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.339 0.59 . . . . 0.0 110.593 179.166 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -52.11 -24.61 7.17 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.446 -178.041 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -90.58 -3.46 57.55 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.16 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 26.8 tp10 -95.17 0.57 54.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.596 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.3 p -119.46 144.9 26.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.156 0.503 . . . . 0.0 110.715 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -100.33 136.46 40.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.607 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.446 HG22 ' HD2' ' A' ' 33' ' ' TYR . 40.6 pt -118.23 6.03 6.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.057 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 47.3 t -57.03 -36.83 70.92 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 121.055 -0.258 . . . . 0.0 110.994 -179.292 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.548 ' OE2' ' CZ ' ' A' ' 33' ' ' TYR . 2.4 pp20? -67.56 -18.66 65.09 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.478 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.553 ' HA ' HD11 ' A' ' 31' ' ' ILE . . . -71.39 138.77 49.41 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -178.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.629 HG23 HG23 ' A' ' 98' ' ' VAL . 15.0 t -99.09 -27.19 13.95 Favored 'General case' 0 CA--C 1.527 0.074 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 178.203 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.629 HG23 HG23 ' A' ' 97' ' ' THR . 70.2 t -129.69 131.03 67.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.196 179.175 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 60.8 t -135.72 144.82 32.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.11 0.481 . . . . 0.0 111.05 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 78.8 p -128.19 157.31 41.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.059 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 63.2 tpp -132.15 129.68 40.14 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.583 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -143.16 91.79 2.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.661 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 89.7 mt -124.84 137.56 54.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.118 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 92.5 mt -63.37 -41.4 98.82 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.52 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 15.1 t -162.88 158.2 22.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.772 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 56.2 p30 -154.14 160.94 42.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.518 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.4 ' O ' ' C ' ' A' ' 108' ' ' ASN . 69.6 t -128.41 122.83 58.58 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.135 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.591 179.747 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 107' ' ' VAL . 74.2 m-20 37.0 -151.62 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.8 179.695 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 40.97 43.67 1.82 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.703 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 79.4 mtm -68.41 -37.25 80.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.01 0.434 . . . . 0.0 110.442 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.2 mp 51.06 61.45 3.23 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.821 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.592 ' N ' ' CD ' ' A' ' 113' ' ' PRO . 13.8 mtmt -82.74 -40.99 0.88 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.712 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.592 ' CD ' ' N ' ' A' ' 112' ' ' LYS . 29.3 Cg_exo -62.44 -24.25 75.43 Favored 'Trans proline' 0 N--CA 1.498 1.787 0 C-N-CA 122.671 2.247 . . . . 0.0 112.61 -179.284 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -63.32 -36.07 82.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.98 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 95.9 mt -59.76 -35.78 75.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.887 -179.17 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.519 ' OE2' ' NE2' ' A' ' 160' ' ' HIS . 75.0 mm-40 -64.58 -22.1 66.88 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.593 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -94.87 -42.79 8.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.605 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -73.74 -51.19 17.34 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.5 -178.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.417 HD13 HG21 ' A' ' 123' ' ' THR . 89.0 mt -86.87 132.13 33.91 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.615 -179.122 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -72.54 156.18 90.43 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.568 179.22 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -60.01 140.36 92.31 Favored 'Trans proline' 0 C--N 1.307 -1.635 0 C-N-CA 121.738 1.625 . . . . 0.0 111.496 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 98.07 -3.18 60.12 Favored Glycine 0 CA--C 1.522 0.499 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' THR . . . . . 0.417 HG21 HD13 ' A' ' 119' ' ' LEU . 4.6 m -70.9 146.73 49.39 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 178.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.457 ' CG ' HG22 ' A' ' 98' ' ' VAL . 9.3 mmt180 -99.14 126.77 44.98 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 120.971 -0.291 . . . . 0.0 110.641 -179.408 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 58.5 t -123.82 129.48 74.38 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.372 178.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 60.9 t -121.84 124.7 72.02 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.201 -179.331 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 68.4 m -97.28 161.14 13.94 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.25 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' HIS . . . . . 0.602 ' CG ' ' N ' ' A' ' 129' ' ' GLU . 28.1 t-80 -67.62 -102.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.658 -179.154 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.602 ' N ' ' CG ' ' A' ' 128' ' ' HIS . 88.4 tt0 -109.29 -24.01 11.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.202 -179.592 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -85.17 128.58 34.72 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.697 -179.37 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 20.2 pm0 -75.99 161.18 29.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.692 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.716 HD12 ' CE1' ' A' ' 155' ' ' TYR . 70.8 mt -93.27 116.42 34.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.452 ' O ' ' NZ ' ' A' ' 112' ' ' LYS . 62.2 ttp180 -73.01 141.09 47.7 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.458 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 88.74 -25.41 9.71 Favored Glycine 0 CA--C 1.521 0.458 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 179.216 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 12.0 m0 -102.46 147.41 26.77 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.947 0.403 . . . . 0.0 111.228 -179.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.465 ' ND2' ' O ' ' A' ' 160' ' ' HIS . 72.8 m-20 -101.74 117.36 61.87 Favored Pre-proline 0 CA--C 1.537 0.462 0 CA-C-N 115.927 -0.578 . . . . 0.0 109.704 179.334 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.12 149.35 52.04 Favored 'Trans proline' 0 N--CA 1.492 1.436 0 C-N-CA 121.593 1.529 . . . . 0.0 112.416 -179.273 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 48.7 tptt -80.45 -46.65 15.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.899 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -137.86 132.98 33.35 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.573 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 65.5 t -130.43 124.44 57.4 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.123 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.494 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.408 HG21 HD13 ' A' ' 141' ' ' ILE . 24.1 pt -143.14 163.59 16.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.387 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 9.1 mtmm -120.57 155.06 34.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.299 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 61.0 t -129.24 130.08 67.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.18 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -113.89 107.0 15.11 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.492 ' O ' ' SD ' ' A' ' 148' ' ' MET . 66.8 t0 -113.88 102.31 10.1 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.452 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 86.91 -110.52 3.55 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -121.38 17.68 11.4 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.569 0.223 . . . . 0.0 110.501 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' MET . . . . . 0.492 ' SD ' ' O ' ' A' ' 145' ' ' ASP . 0.5 OUTLIER -121.38 -175.18 3.02 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.02 0.438 . . . . 0.0 111.197 -179.269 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 37.9 p30 -155.26 150.32 26.82 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.097 178.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -138.02 146.99 43.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.078 -0.964 . . . . 0.0 110.096 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.434 ' O ' ' O ' ' A' ' 128' ' ' HIS . 67.5 m -123.69 140.11 53.32 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 73.7 t -129.55 131.8 66.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.691 0.281 . . . . 0.0 110.686 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -109.47 132.75 53.84 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.702 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 61.4 tp -113.23 126.51 55.49 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 155' ' ' TYR . . . . . 0.716 ' CE1' HD12 ' A' ' 132' ' ' ILE . 97.1 m-85 -120.74 166.61 13.48 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.716 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 66.8 t -133.82 127.31 52.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.558 178.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 157' ' ' ILE . . . . . . . . . . . . . 37.6 mm -70.57 130.95 34.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.281 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 123.32 -43.31 1.45 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.308 -1.117 . . . . 0.0 110.308 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -135.87 129.93 33.1 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 160' ' ' HIS . . . . . 0.519 ' NE2' ' OE2' ' A' ' 116' ' ' GLU . 0.5 OUTLIER -163.27 -86.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.116 -179.451 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 161' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 160' ' ' HIS . 57.2 mtmt -31.42 -52.42 0.21 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.392 -178.012 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.594 179.994 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.0 ttp . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.3 m -62.04 -40.0 94.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.559 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -128.1 147.41 50.53 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.595 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 28.7 m -129.49 149.45 72.87 Favored Pre-proline 0 CA--C 1.532 0.261 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.217 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -70.69 152.36 64.47 Favored 'Trans proline' 0 N--CA 1.495 1.564 0 C-N-CA 122.181 1.921 . . . . 0.0 112.213 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -117.91 108.3 15.13 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.702 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.612 ' O ' HG22 ' A' ' 7' ' ' VAL . 5.9 p -140.4 69.79 32.78 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.642 179.571 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -56.87 139.14 88.54 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.816 2.344 . . . . 0.0 112.519 -179.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -139.35 123.84 18.29 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.388 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 58.2 t -108.03 107.36 60.16 Favored Pre-proline 0 CA--C 1.538 0.481 0 C-N-CA 121.122 -0.231 . . . . 0.0 111.195 -179.535 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -55.36 151.04 38.57 Favored 'Trans proline' 0 N--CA 1.497 1.724 0 C-N-CA 121.807 1.671 . . . . 0.0 111.782 178.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 29.3 p -100.85 107.51 49.74 Favored Pre-proline 0 CA--C 1.536 0.405 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.685 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.76 152.93 32.7 Favored 'Trans proline' 0 N--CA 1.496 1.676 0 C-N-CA 121.664 1.576 . . . . 0.0 111.696 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -61.07 -17.69 53.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.162 0.506 . . . . 0.0 109.804 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -61.83 -40.6 95.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.546 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.5 t -61.78 -47.66 92.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.55 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 55.7 t -63.89 -39.46 85.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.901 0.382 . . . . 0.0 110.091 179.123 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.526 ' NH2' ' OD2' ' A' ' 49' ' ' ASP . 10.0 mmm180 -59.91 -40.99 90.69 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.469 -179.541 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.0 mmt85 -67.32 -35.76 80.07 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.515 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 63.7 mtt -64.91 -29.94 70.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.401 0.619 . . . . 0.0 110.517 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 93.8 mt -76.45 -40.53 50.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.434 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -64.6 -43.93 92.23 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.205 -0.452 . . . . 0.0 112.007 -178.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.417 HD13 HG21 ' A' ' 23' ' ' ILE . 35.0 pt -69.48 -37.73 75.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.097 -178.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.16 -6.07 31.67 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.02 0.438 . . . . 0.0 110.257 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp 61.05 38.81 16.95 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.999 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.417 ' CG2' HG11 ' A' ' 98' ' ' VAL . 79.1 t -68.57 123.61 22.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.897 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.455 ' H ' ' HB2' ' A' ' 30' ' ' ASP . 17.3 t -115.49 174.72 5.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.703 179.43 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -62.65 -21.87 66.02 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.42 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 57.8 p30 -100.21 8.35 43.86 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.191 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.455 ' HB2' ' H ' ' A' ' 27' ' ' SER . 96.8 m-20 -107.56 131.58 54.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.813 0.339 . . . . 0.0 110.761 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.692 HD13 ' CE2' ' A' ' 33' ' ' TYR . 0.9 OUTLIER -84.89 154.36 3.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.744 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.612 ' N ' HD12 ' A' ' 31' ' ' ILE . 93.3 t -126.98 118.11 49.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.043 178.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.761 ' CD1' ' HB2' ' A' ' 96' ' ' ALA . 11.4 m-30 -113.27 109.01 18.05 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.112 176.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.765 ' HB1' HD13 ' A' ' 42' ' ' ILE . . . -103.63 121.81 43.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.998 0.427 . . . . 0.0 111.055 -179.49 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.456 ' O ' ' O ' ' A' ' 58' ' ' VAL . 90.4 mt -61.7 -37.47 84.27 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -178.703 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -134.86 96.67 0.28 Allowed Glycine 0 CA--C 1.528 0.863 0 C-N-CA 120.378 -0.915 . . . . 0.0 112.425 -178.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.5 ' SG ' ' N ' ' A' ' 38' ' ' GLY . 19.2 p -81.4 -57.61 3.41 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.729 0.3 . . . . 0.0 110.984 178.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.5 ' N ' ' SG ' ' A' ' 37' ' ' CYS . . . 80.67 7.4 88.6 Favored Glycine 0 CA--C 1.529 0.933 0 C-N-CA 121.104 -0.569 . . . . 0.0 112.038 179.396 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.434 ' CB ' ' O ' ' A' ' 38' ' ' GLY . 1.0 OUTLIER 164.79 -5.36 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 116.998 0.399 . . . . 0.0 111.258 179.815 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.441 ' H ' ' HB2' ' A' ' 37' ' ' CYS . . . 83.93 3.54 89.15 Favored Glycine 0 C--O 1.222 -0.631 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 179.575 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -69.04 -11.01 60.4 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 122.255 -0.556 . . . . 0.0 110.255 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.765 HD13 ' HB1' ' A' ' 34' ' ' ALA . 12.5 tt -86.16 -40.11 14.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.832 179.311 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.63 HG23 HG23 ' A' ' 42' ' ' ILE . 37.3 pt -96.55 -30.03 3.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 N-CA-C 112.192 0.442 . . . . 0.0 112.192 -178.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.463 HD11 HD12 ' A' ' 72' ' ' ILE . 73.6 mt -61.03 -42.74 94.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.949 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 96.8 m -58.4 -49.96 75.39 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 119.721 -0.792 . . . . 0.0 110.275 -178.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 50' ' ' PHE . . . -58.01 -51.48 69.47 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 119.911 -0.716 . . . . 0.0 112.089 -177.492 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.25 -41.9 97.7 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.352 -0.539 . . . . 0.0 111.562 -178.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -64.76 -46.39 82.34 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.439 -179.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.526 ' OD2' ' NH2' ' A' ' 18' ' ' ARG . 64.1 t0 -101.55 -54.45 2.75 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -177.639 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.502 ' N ' ' O ' ' A' ' 46' ' ' ALA . 53.0 m-85 -75.44 -2.69 29.91 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.403 -0.519 . . . . 0.0 112.19 -178.27 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 60.2 t30 48.8 37.64 10.24 Favored 'General case' 0 C--O 1.232 0.18 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 178.08 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.8 m -58.25 134.23 23.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.618 0.723 . . . . 0.0 111.71 -178.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -51.06 -48.72 61.51 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.529 -178.261 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.503 ' NZ ' ' OH ' ' A' ' 33' ' ' TYR . 23.5 ttpt -142.63 131.6 23.03 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.329 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.68 ' HB3' ' O ' ' A' ' 80' ' ' ARG . . . -129.78 129.92 44.7 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 121.063 0.459 . . . . 0.0 110.312 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 67.7 t -134.54 135.64 53.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.978 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -119.77 129.68 8.1 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 109.855 -1.298 . . . . 0.0 109.855 178.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.456 ' O ' ' O ' ' A' ' 35' ' ' LEU . 62.2 t -95.94 125.67 48.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 C-N-CA 120.238 -0.585 . . . . 0.0 109.985 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -132.4 -167.42 1.89 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.791 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.613 ' O ' HG23 ' A' ' 60' ' ' ILE . 6.3 tt 170.84 84.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 178.643 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 -147.65 177.54 9.2 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.545 ' O ' HG22 ' A' ' 65' ' ' ILE . 98.1 m-20 -100.0 -66.39 0.91 Allowed 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.508 -0.477 . . . . 0.0 111.39 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -69.36 -39.3 78.15 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -179.142 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -75.27 -7.86 55.06 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.509 -178.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.545 HG22 ' O ' ' A' ' 62' ' ' ASP . 13.1 tt -63.93 -38.04 81.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 C-N-CA 120.488 -0.485 . . . . 0.0 111.355 -179.113 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.442 ' N ' ' CG2' ' A' ' 65' ' ' ILE . 7.1 ptm85 -83.37 -29.85 27.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.561 -179.111 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.69 -45.78 92.5 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.912 -179.305 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.481 ' HB1' HG21 ' A' ' 83' ' ' ILE . . . -60.54 -40.96 93.46 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 121.012 -0.275 . . . . 0.0 111.739 -179.09 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 68.6 mt -62.97 -42.59 99.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.094 0.473 . . . . 0.0 110.426 179.224 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.55 -39.33 93.56 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.945 -179.125 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.586 ' OD1' ' ND2' ' A' ' 75' ' ' ASN . 55.2 t-20 -59.79 -45.88 90.92 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.549 -0.461 . . . . 0.0 110.656 -178.467 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.463 HD12 HD11 ' A' ' 44' ' ' ILE . 1.4 mp -52.17 -48.77 42.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 121.091 -0.244 . . . . 0.0 110.567 -179.531 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -63.36 -41.9 98.85 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.634 -0.427 . . . . 0.0 110.626 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm -55.85 -37.17 68.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.247 -178.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.586 ' ND2' ' OD1' ' A' ' 71' ' ' ASN . 70.3 m-80 -95.34 5.1 52.58 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.501 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 47.69 42.76 21.24 Favored Glycine 0 N--CA 1.463 0.476 0 C-N-CA 121.031 -0.604 . . . . 0.0 111.603 177.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 18.0 m -104.34 11.34 8.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 120.736 -0.386 . . . . 0.0 111.127 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.02 122.71 9.89 Favored 'General case' 0 CA--C 1.52 -0.201 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.603 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 113.47 -11.36 23.76 Favored Glycine 0 CA--C 1.519 0.321 0 N-CA-C 110.164 -1.174 . . . . 0.0 110.164 -179.538 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.68 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 68.5 mtt180 -127.55 -24.77 3.26 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 178.644 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -126.05 133.43 51.72 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.9 -179.379 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 87.6 p -147.12 164.6 32.58 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.8 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.481 HG21 ' HB1' ' A' ' 68' ' ' ALA . 0.0 OUTLIER -130.44 138.14 54.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.913 0.387 . . . . 0.0 110.765 179.875 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.502 HG11 HG11 ' A' ' 91' ' ' VAL . 77.9 t -127.73 131.83 69.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.486 -179.686 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.8 ptmt -91.79 148.27 22.36 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.275 -0.57 . . . . 0.0 110.224 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 118.7 -173.88 15.09 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -86.63 171.81 10.72 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 110.395 -0.224 . . . . 0.0 110.395 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.428 ' O ' ' O ' ' A' ' 91' ' ' VAL . 52.7 p90 -72.88 -4.25 30.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.023 0.44 . . . . 0.0 109.883 179.108 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -78.8 -40.2 33.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.638 178.132 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -60.8 -26.83 67.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.825 -1.08 . . . . 0.0 110.75 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.502 HG11 HG11 ' A' ' 84' ' ' VAL . 30.3 m -125.37 161.27 30.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.08 0.467 . . . . 0.0 110.79 -179.546 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -106.49 135.76 47.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.177 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 42.8 pt -122.88 10.21 5.44 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.132 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.248 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' A' ' 118' ' ' GLU . 89.0 p -60.61 -30.86 70.11 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.473 -0.491 . . . . 0.0 111.129 -179.366 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -73.94 -17.3 61.03 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.816 0.341 . . . . 0.0 111.387 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.761 ' HB2' ' CD1' ' A' ' 33' ' ' TYR . . . -66.95 131.91 46.85 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.986 -178.676 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.605 HG23 HG23 ' A' ' 98' ' ' VAL . 15.3 t -93.1 -33.24 14.14 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.23 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.605 HG23 HG23 ' A' ' 97' ' ' THR . 66.0 t -129.43 128.58 66.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.117 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.58 ' CG2' HG22 ' A' ' 125' ' ' VAL . 28.1 m -135.85 151.72 29.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.202 178.482 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 86.5 m -138.11 147.35 43.9 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.449 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 98.9 mtp -109.34 145.39 36.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.623 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.479 ' CD2' ' O ' ' A' ' 103' ' ' LEU . 88.7 t80 -117.47 150.46 38.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.572 -179.406 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.87 HD11 ' CE1' ' A' ' 128' ' ' HIS . 92.8 mt -52.76 148.38 7.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.245 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.492 ' CB ' ' O ' ' A' ' 103' ' ' LEU . 1.5 tt 84.98 91.74 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.256 -179.402 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.779 HG22 ' H ' ' A' ' 107' ' ' VAL . 95.1 m -116.36 128.99 56.01 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.356 -179.739 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -99.69 10.92 40.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.838 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.779 ' H ' HG22 ' A' ' 105' ' ' THR . 85.0 t -88.33 118.42 33.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.919 0.39 . . . . 0.0 110.835 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 55.3 p30 -131.8 18.87 4.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.993 179.474 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -71.69 -12.64 61.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.285 -179.313 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 60.8 mtt 58.82 95.78 0.03 OUTLIER 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 -179.145 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 177.21 75.09 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.575 -179.71 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.593 ' N ' ' CD ' ' A' ' 113' ' ' PRO . 14.8 mttt -84.45 -42.19 0.72 Allowed Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.23 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.593 ' CD ' ' N ' ' A' ' 112' ' ' LYS . 33.5 Cg_exo -57.79 -9.27 5.44 Favored 'Trans proline' 0 N--CA 1.496 1.646 0 C-N-CA 122.898 2.399 . . . . 0.0 112.538 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 23.5 pttp -58.75 -30.26 67.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.98 0.419 . . . . 0.0 111.244 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 96.9 mt -59.98 -36.82 77.96 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.395 -178.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.467 ' OE2' ' NE2' ' A' ' 160' ' ' HIS . 96.4 mt-10 -63.99 -23.74 67.45 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.966 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -99.03 -39.12 8.69 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.837 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.475 ' O ' ' CB ' ' A' ' 94' ' ' SER . 77.0 mm-40 -73.87 -52.07 14.18 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.008 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 83.8 mt -85.96 136.26 33.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.291 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -76.02 156.81 83.99 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.721 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_exo -58.53 139.45 90.7 Favored 'Trans proline' 0 N--CA 1.497 1.691 0 C-N-CA 121.531 1.488 . . . . 0.0 112.085 178.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 98.56 -7.12 61.3 Favored Glycine 0 CA--C 1.52 0.369 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 179.133 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 1.2 m -71.57 147.95 47.14 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 178.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -106.56 131.81 53.29 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 120.954 0.406 . . . . 0.0 111.044 -179.258 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.58 HG22 ' CG2' ' A' ' 99' ' ' VAL . 57.6 t -123.84 130.9 73.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.73 179.145 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 60.1 t -119.43 124.03 72.24 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.159 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.481 -179.128 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 64.4 m -96.9 148.99 22.38 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.476 -0.49 . . . . 0.0 110.143 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' HIS . . . . . 0.87 ' CE1' HD11 ' A' ' 103' ' ' LEU . 53.7 t-80 -58.48 -100.4 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.36 -179.282 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.562 ' N ' ' ND1' ' A' ' 128' ' ' HIS . 88.3 tt0 -107.34 -26.48 10.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.101 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -87.09 128.9 35.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.194 0.521 . . . . 0.0 111.3 -179.022 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -79.79 163.48 24.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.25 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 77.1 mt -97.09 114.59 34.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.176 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.437 ' C ' ' H ' ' A' ' 135' ' ' TRP . 5.8 ptm180 -67.11 155.93 37.47 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.326 -0.549 . . . . 0.0 110.3 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 76.46 -24.16 1.83 Allowed Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.734 -0.946 . . . . 0.0 110.734 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' TRP . . . . . 0.437 ' H ' ' C ' ' A' ' 133' ' ' ARG . 10.5 m0 -100.29 147.91 25.25 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.007 0.432 . . . . 0.0 111.541 -179.286 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -104.95 115.58 62.19 Favored Pre-proline 0 CA--C 1.535 0.396 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.661 179.256 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -71.75 151.09 57.18 Favored 'Trans proline' 0 N--CA 1.492 1.432 0 C-N-CA 121.454 1.436 . . . . 0.0 112.332 -179.107 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -84.77 -50.08 7.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.284 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.536 ' OE1' ' N ' ' A' ' 140' ' ' VAL . 7.6 tp10 -131.75 124.32 29.49 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.134 -179.695 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.536 ' N ' ' OE1' ' A' ' 139' ' ' GLU . 58.2 t -125.8 125.22 67.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.381 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 23.8 pt -141.23 162.2 21.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 121.205 0.526 . . . . 0.0 111.737 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 22.4 mtmt -120.43 149.99 41.49 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.988 -1.005 . . . . 0.0 111.784 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 63.6 t -123.09 127.44 74.64 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.046 179.586 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' GLU . . . . . 0.402 ' N ' ' OE1' ' A' ' 144' ' ' GLU . 43.8 mp0 -113.68 124.4 52.22 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.955 0.407 . . . . 0.0 110.898 -179.425 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -149.4 156.87 42.72 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 179.586 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 49.73 -131.32 27.21 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.253 -1.139 . . . . 0.0 110.253 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -111.41 20.2 17.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.638 0.256 . . . . 0.0 110.321 179.294 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' MET . . . . . 0.587 ' N ' ' SD ' ' A' ' 148' ' ' MET . 1.3 mpt? -141.54 157.26 45.35 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.111 -179.692 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -123.09 165.65 16.47 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.055 179.127 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -138.81 149.24 44.72 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.324 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 65.6 m -123.98 140.04 53.37 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 86.1 t -128.28 131.06 69.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.469 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -109.48 132.68 53.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.32 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 66.2 tp -114.69 123.79 50.18 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.23 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -118.11 160.3 21.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.98 0.419 . . . . 0.0 110.275 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 67.2 t -129.34 125.87 62.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.375 178.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 157' ' ' ILE . . . . . . . . . . . . . 39.5 mm -68.51 132.89 32.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.591 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 123.35 -42.65 1.55 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 109.975 -1.25 . . . . 0.0 109.975 -179.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -132.18 142.6 49.51 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 179.148 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 160' ' ' HIS . . . . . 0.695 ' CD2' ' H ' ' A' ' 161' ' ' LYS . 15.2 p-80 -165.41 -107.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.538 -0.465 . . . . 0.0 111.442 -179.572 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 161' ' ' LYS . . . . . 0.695 ' H ' ' CD2' ' A' ' 160' ' ' HIS . 37.3 ttmt -39.2 -59.58 1.01 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.779 -178.562 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.598 179.988 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.7 mmm . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.2 p -154.1 162.15 41.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.445 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 94.2 t80 -124.02 125.25 44.23 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.68 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 27.0 m -133.92 149.24 71.19 Favored Pre-proline 0 CA--C 1.534 0.335 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.105 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.49 149.02 61.61 Favored 'Trans proline' 0 N--CA 1.496 1.618 0 C-N-CA 122.034 1.823 . . . . 0.0 112.041 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -151.38 99.19 2.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.669 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.677 ' O ' HG22 ' A' ' 7' ' ' VAL . 7.2 p -141.93 58.56 8.25 Favored Pre-proline 0 C--O 1.232 0.171 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.935 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -74.1 162.06 39.63 Favored 'Trans proline' 0 C--N 1.303 -1.817 0 C-N-CA 123.185 2.59 . . . . 0.0 112.38 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -55.6 139.01 45.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.064 179.442 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.1 t -118.08 115.59 36.39 Favored Pre-proline 0 CA--C 1.538 0.501 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.574 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -74.52 159.79 42.44 Favored 'Trans proline' 0 N--CA 1.494 1.547 0 C-N-CA 121.673 1.582 . . . . 0.0 111.889 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 59.3 p -60.99 150.13 79.26 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.182 -179.416 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -70.75 164.99 33.56 Favored 'Trans proline' 0 N--CA 1.493 1.462 0 C-N-CA 122.203 1.935 . . . . 0.0 112.736 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -59.55 -27.1 65.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.1 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -58.99 -40.65 85.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.469 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 55.5 t -62.28 -46.29 96.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.322 179.342 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 57.3 t -63.69 -40.05 87.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.075 179.135 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.623 ' HE ' ' CG2' ' A' ' 45' ' ' THR . 17.5 mmt85 -59.98 -41.51 92.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.288 -179.326 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.0 mmt85 -66.59 -38.86 87.92 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.568 -0.453 . . . . 0.0 111.349 179.271 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 95.1 mtp -62.5 -36.79 83.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.319 0.58 . . . . 0.0 110.959 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.779 ' O ' HG12 ' A' ' 26' ' ' VAL . 93.7 mt -70.96 -40.73 71.8 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.597 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -65.78 -44.48 85.64 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -178.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.3 pt -67.11 -36.4 76.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.802 -178.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.403 ' HB1' HG13 ' A' ' 98' ' ' VAL . . . -68.34 -9.81 50.55 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 179.771 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt 59.92 33.65 21.54 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.639 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.779 HG12 ' O ' ' A' ' 21' ' ' LEU . 4.8 p -65.92 124.44 20.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.292 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.404 ' H ' ' HB2' ' A' ' 30' ' ' ASP . 11.0 t -114.64 173.16 6.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.977 179.741 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 17.8 pm0 -61.1 -21.09 63.37 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.463 -179.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -97.42 7.68 46.05 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.911 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.404 ' HB2' ' H ' ' A' ' 27' ' ' SER . 97.5 m-20 -110.87 134.92 52.14 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.195 -179.554 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.677 HD13 ' CE2' ' A' ' 33' ' ' TYR . 1.1 pp -85.07 154.67 3.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.18 179.34 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.567 ' N ' HD12 ' A' ' 31' ' ' ILE . 94.4 t -124.58 116.51 47.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.412 179.511 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.757 ' CD1' ' HB2' ' A' ' 96' ' ' ALA . 11.3 m-30 -113.94 124.87 53.23 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 176.576 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -146.31 150.71 36.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.761 0.315 . . . . 0.0 111.474 -179.342 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.472 HD12 ' H ' ' A' ' 35' ' ' LEU . 0.6 OUTLIER -111.15 8.66 21.77 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.6 179.438 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.452 ' O ' ' O ' ' A' ' 37' ' ' CYS . . . -94.4 11.4 70.34 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 -179.653 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.587 ' SG ' ' N ' ' A' ' 38' ' ' GLY . 34.8 t -50.87 -106.21 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.628 0.251 . . . . 0.0 111.031 -179.537 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.587 ' N ' ' SG ' ' A' ' 37' ' ' CYS . . . 76.9 8.19 86.59 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.389 -1.084 . . . . 0.0 110.389 -179.629 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.53 ' OD1' ' N ' ' A' ' 40' ' ' GLY . 54.9 p-10 -176.15 -23.57 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.067 0.461 . . . . 0.0 110.203 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.577 ' N ' ' SG ' ' A' ' 37' ' ' CYS . . . 90.3 -4.5 82.67 Favored Glycine 0 C--O 1.217 -0.957 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 179.676 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.511 ' NH2' ' OD2' ' A' ' 39' ' ' ASP . 39.4 ttp-105 -57.94 -37.2 73.68 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.156 -0.618 . . . . 0.0 110.182 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.629 HG23 HG23 ' A' ' 43' ' ' ILE . 17.1 tt -60.51 -43.65 94.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.443 -0.798 . . . . 0.0 111.484 -179.116 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.629 HG23 HG23 ' A' ' 42' ' ' ILE . 34.8 pt -90.3 -30.48 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -179.243 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 70.3 mt -61.88 -42.3 94.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 111.703 0.26 . . . . 0.0 111.703 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.623 ' CG2' ' HE ' ' A' ' 18' ' ' ARG . 85.6 m -64.46 -24.06 67.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.214 0.531 . . . . 0.0 110.13 179.448 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.561 ' O ' ' N ' ' A' ' 50' ' ' PHE . . . -73.92 -66.45 0.71 Allowed 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.884 178.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.34 -39.15 82.25 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.437 -178.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -62.92 -46.18 89.01 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.803 -0.359 . . . . 0.0 111.336 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -105.11 -53.83 2.59 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -178.282 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.561 ' N ' ' O ' ' A' ' 46' ' ' ALA . 53.2 m-85 -72.04 -6.97 46.16 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -178.527 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 60.0 t30 49.18 35.24 7.01 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.503 -0.479 . . . . 0.0 111.545 178.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.702 HG21 ' HB2' ' A' ' 55' ' ' ALA . 24.6 m -44.61 165.53 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 CA-C-O 121.278 0.561 . . . . 0.0 110.877 -179.088 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -74.17 -50.22 20.22 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.223 -0.899 . . . . 0.0 108.959 177.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.7 ttpt -148.23 125.5 11.53 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 114.839 -1.073 . . . . 0.0 109.368 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.702 ' HB2' HG21 ' A' ' 52' ' ' VAL . . . -116.04 124.85 51.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.939 0.399 . . . . 0.0 110.04 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 73.9 t -131.62 135.52 58.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.059 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -114.13 135.7 12.69 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.253 -1.139 . . . . 0.0 110.253 178.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 94.5 t -105.52 123.0 59.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -170.96 147.73 2.7 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.763 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.641 ' O ' HG23 ' A' ' 60' ' ' ILE . 20.4 tt -134.02 116.16 22.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.041 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.696 ' H ' HD13 ' A' ' 65' ' ' ILE . 27.1 m120 -149.3 -176.21 5.28 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.469 ' O ' HG22 ' A' ' 65' ' ' ILE . 66.4 t0 -111.45 -70.26 0.82 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.968 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -70.2 -38.93 75.43 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.499 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 84.1 mtt85 -80.14 -7.96 59.18 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.568 -179.024 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.696 HD13 ' H ' ' A' ' 61' ' ' ASN . 4.9 tp -65.23 -37.23 79.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.232 -0.587 . . . . 0.0 110.708 -179.239 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -81.46 -27.98 34.36 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.741 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -61.73 -47.86 83.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.199 -179.101 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.66 -41.23 94.61 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 -178.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.49 HD23 HD11 ' A' ' 83' ' ' ILE . 27.0 mt -61.54 -39.97 92.99 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.183 0.516 . . . . 0.0 110.236 179.55 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.24 -39.34 92.52 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.953 -179.017 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -60.54 -42.93 97.51 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.176 -0.61 . . . . 0.0 111.181 -178.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.9 mp -55.5 -47.02 79.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.438 -0.505 . . . . 0.0 111.008 -178.399 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -63.9 -40.56 96.79 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.255 -0.578 . . . . 0.0 109.99 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -56.85 -39.2 73.86 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.056 -178.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 32.7 m120 -93.61 3.59 55.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.66 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 49.23 43.42 33.58 Favored Glycine 0 CA--C 1.528 0.857 0 C-N-CA 121.045 -0.598 . . . . 0.0 112.173 177.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 4.5 m -110.25 17.53 7.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.763 0.281 . . . . 0.0 111.462 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.5 p -48.36 160.88 0.14 Allowed 'General case' 0 CA--C 1.514 -0.409 0 CA-C-O 121.579 0.704 . . . . 0.0 111.424 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 79.69 -27.01 2.62 Favored Glycine 0 N--CA 1.446 -0.658 0 CA-C-N 114.608 -1.178 . . . . 0.0 111.414 178.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.551 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 34.0 mtp85 -107.01 -24.95 11.81 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-O 120.864 0.364 . . . . 0.0 110.195 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -117.31 128.89 55.51 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.653 -179.328 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 60.4 m -141.82 160.54 39.97 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.409 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.49 HD11 HD23 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -128.41 138.37 54.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.518 178.641 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 90.1 t -125.99 129.68 72.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.11 -179.122 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -96.93 153.64 17.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.008 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 130.01 -162.32 23.03 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.216 -1.154 . . . . 0.0 110.216 -179.312 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -98.95 125.48 44.41 Favored 'General case' 0 C--N 1.33 -0.283 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.661 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -51.22 -26.59 7.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.865 -179.282 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -61.07 -48.56 81.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.255 0.55 . . . . 0.0 109.766 179.086 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.55 -39.05 93.41 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.157 -0.928 . . . . 0.0 110.835 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 87.8 t -70.09 131.06 34.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.763 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -91.62 129.38 37.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.157 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 37.9 pt -123.48 13.79 5.2 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.753 -179.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 88.1 p -58.52 -32.94 69.32 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.419 -0.513 . . . . 0.0 111.136 -179.254 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.529 ' OE2' ' CZ ' ' A' ' 33' ' ' TYR . 2.2 pp20? -73.35 -15.87 61.37 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.803 -179.284 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.757 ' HB2' ' CD1' ' A' ' 33' ' ' TYR . . . -67.83 131.32 45.31 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.533 -0.467 . . . . 0.0 111.859 -178.28 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.751 HG23 HG23 ' A' ' 98' ' ' VAL . 15.2 t -94.1 -30.74 14.5 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.552 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.751 HG23 HG23 ' A' ' 97' ' ' THR . 69.1 t -126.32 125.16 67.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.579 179.524 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.415 ' CG1' ' N ' ' A' ' 100' ' ' THR . 42.0 t -138.53 151.54 24.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.116 0.484 . . . . 0.0 111.469 -179.478 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.439 HG21 HD11 ' A' ' 42' ' ' ILE . 8.3 t -129.55 148.18 51.43 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.105 178.581 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.6 ttt -115.26 123.76 49.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.032 0.444 . . . . 0.0 111.044 -178.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.612 ' O ' HD22 ' A' ' 103' ' ' LEU . 90.6 t80 -135.57 111.13 9.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.215 179.474 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.612 HD22 ' O ' ' A' ' 102' ' ' PHE . 0.3 OUTLIER -139.99 134.22 31.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.548 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 60.5 tp -61.77 -44.15 97.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.135 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 15.4 t -150.03 160.52 43.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.568 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -88.07 99.73 12.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.602 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.3 p -72.13 -33.29 46.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.212 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -118.72 -149.55 0.44 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.971 -179.19 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -58.77 147.69 32.39 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.182 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 99.0 mtp -71.94 -39.12 69.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.2 0.524 . . . . 0.0 110.332 178.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.457 HD12 ' N ' ' A' ' 111' ' ' LEU . 10.8 mp -81.87 147.83 29.11 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.663 -178.797 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -130.1 72.78 81.81 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.245 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.77 -13.61 34.9 Favored 'Trans proline' 0 N--CA 1.495 1.606 0 C-N-CA 122.133 1.888 . . . . 0.0 111.869 -179.375 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.456 ' HD3' ' H ' ' A' ' 114' ' ' LYS . 3.0 mptp? -59.79 -34.16 72.65 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.249 179.687 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 98.7 mt -59.58 -35.53 74.47 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.408 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -62.88 -24.52 67.85 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.764 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -97.14 -39.79 9.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.9 179.669 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -76.23 -52.91 9.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.349 -178.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.771 HD23 HG21 ' A' ' 123' ' ' THR . 6.7 mp -82.62 132.21 35.19 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 179.323 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -73.99 152.04 88.58 Favored Pre-proline 0 C--N 1.327 -0.406 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.682 -179.067 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_exo -53.12 137.72 62.86 Favored 'Trans proline' 0 N--CA 1.494 1.536 0 C-N-CA 121.542 1.495 . . . . 0.0 111.867 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 100.95 -4.25 55.99 Favored Glycine 0 CA--C 1.52 0.403 0 N-CA-C 111.396 -0.682 . . . . 0.0 111.396 179.502 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' THR . . . . . 0.771 HG21 HD23 ' A' ' 119' ' ' LEU . 6.0 m -70.57 145.96 50.43 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 178.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -96.11 124.74 40.24 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 59.8 t -121.74 125.81 73.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.559 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 57.7 t -120.53 122.32 67.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.319 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 49.2 m -91.18 159.43 16.07 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.073 179.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' HIS . . . . . 0.53 ' CG ' ' N ' ' A' ' 129' ' ' GLU . 19.1 t-160 -70.65 -103.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.563 -179.401 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.53 ' N ' ' CG ' ' A' ' 128' ' ' HIS . 52.7 tp10 -102.16 -37.78 7.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.509 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -76.33 139.83 41.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.238 -179.169 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -84.21 163.65 19.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.309 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 65.5 mt -93.83 117.87 38.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 13.9 mtt-85 -78.78 145.03 34.59 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.111 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 86.81 -21.89 16.89 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 23.2 m0 -108.34 152.68 24.32 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-O 120.869 0.366 . . . . 0.0 110.67 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -105.92 118.46 55.12 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.939 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.67 148.34 58.96 Favored 'Trans proline' 0 N--CA 1.491 1.343 0 C-N-CA 121.205 1.27 . . . . 0.0 111.736 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -82.98 -48.48 10.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.023 0.44 . . . . 0.0 109.912 179.185 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -143.06 130.01 20.59 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.603 -179.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.706 HG21 ' CE2' ' A' ' 153' ' ' TYR . 12.4 p -141.47 135.55 31.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.948 0.404 . . . . 0.0 110.28 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 23.7 pt -141.01 168.29 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.627 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -119.72 150.8 39.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.616 179.485 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 58.1 t -126.51 129.57 71.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.486 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -110.0 119.37 39.11 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -139.07 97.44 3.3 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.526 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 96.74 -120.47 6.69 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -114.56 15.76 17.7 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 120.71 0.29 . . . . 0.0 110.569 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 63.8 mtt -140.45 157.89 44.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.355 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 55.3 p30 -124.29 164.43 19.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.131 0.491 . . . . 0.0 110.698 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -136.57 144.75 44.34 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.9 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 27.2 m -123.12 140.15 53.32 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.608 ' O ' HG23 ' A' ' 140' ' ' VAL . 87.8 t -131.54 132.2 62.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.738 0.304 . . . . 0.0 110.896 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 153' ' ' TYR . . . . . 0.706 ' CE2' HG21 ' A' ' 140' ' ' VAL . 90.3 m-85 -107.5 133.58 51.78 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.326 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 68.8 tp -114.61 126.31 54.76 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 155' ' ' TYR . . . . . 0.44 ' OH ' ' O ' ' A' ' 159' ' ' GLU . 70.2 t80 -144.43 133.42 22.69 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.482 -179.326 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 7.4 p -99.75 140.54 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.035 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 157' ' ' ILE . . . . . . . . . . . . . 48.0 mm -73.19 133.37 31.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.72 -179.504 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 145.9 -31.0 1.63 Allowed Glycine 0 CA--C 1.527 0.821 0 N-CA-C 111.479 -0.648 . . . . 0.0 111.479 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 159' ' ' GLU . . . . . 0.44 ' O ' ' OH ' ' A' ' 155' ' ' TYR . 99.1 mt-10 -144.98 100.14 3.44 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 179.184 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 160' ' ' HIS . . . . . 0.52 ' ND1' ' O ' ' A' ' 160' ' ' HIS . 32.7 p80 -119.4 120.19 36.14 Favored 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 121.058 -0.257 . . . . 0.0 111.08 -179.579 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt 168.94 169.29 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.014 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.542 179.911 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.2 tpt . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.7 m -126.57 150.48 48.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.414 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -109.72 133.86 52.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.654 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.42 HG22 ' H ' ' A' ' 4' ' ' VAL . 19.4 m -71.29 149.44 94.11 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.934 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -70.06 110.63 2.66 Favored 'Trans proline' 0 N--CA 1.493 1.444 0 C-N-CA 121.81 1.673 . . . . 0.0 112.17 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.494 ' CG ' HG23 ' A' ' 7' ' ' VAL . 11.5 t-160 -67.81 139.12 56.57 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.693 -179.739 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.494 HG23 ' CG ' ' A' ' 6' ' ' HIS . 7.4 t 49.91 70.29 2.14 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.014 179.677 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -57.49 145.74 87.08 Favored 'Trans proline' 0 C--N 1.304 -1.803 0 C-N-CA 123.069 2.513 . . . . 0.0 112.079 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -109.63 123.09 48.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.206 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.1 p -134.51 135.84 24.49 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.674 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -75.55 162.09 36.22 Favored 'Trans proline' 0 N--CA 1.492 1.433 0 C-N-CA 122.101 1.868 . . . . 0.0 111.801 179.489 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 48.4 p -67.51 157.62 85.22 Favored Pre-proline 0 C--N 1.329 -0.314 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.049 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -56.68 146.3 77.47 Favored 'Trans proline' 0 N--CA 1.496 1.64 0 C-N-CA 121.616 1.544 . . . . 0.0 112.024 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.71 -24.34 63.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.01 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -60.56 -39.25 87.3 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 57.3 t -60.92 -46.54 96.27 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.991 -179.248 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -69.64 -29.31 40.8 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.143 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.492 -179.36 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.55 HH22 ' CG ' ' A' ' 49' ' ' ASP . 18.3 mmt180 -62.24 -40.87 97.6 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.189 179.694 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.3 mmt180 -70.0 -39.38 75.9 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.582 ' HG2' HG11 ' A' ' 152' ' ' VAL . 76.1 mtm -64.44 -34.4 78.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.116 0.484 . . . . 0.0 110.869 -179.451 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 86.6 mt -70.24 -40.31 74.51 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.601 179.382 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -63.64 -44.14 94.73 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -179.326 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.521 ' HB ' HD22 ' A' ' 154' ' ' LEU . 35.4 pt -72.83 -32.09 38.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.373 -178.748 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 25' ' ' LYS . . . -81.81 31.35 0.36 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.125 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.43 ' H ' ' C ' ' A' ' 23' ' ' ILE . 11.0 tptp 28.21 61.53 0.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.252 -0.885 . . . . 0.0 112.267 178.371 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.459 HG13 ' OD2' ' A' ' 30' ' ' ASP . 54.9 t -91.74 111.86 24.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.099 179.627 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.541 ' N ' ' OD2' ' A' ' 30' ' ' ASP . 70.4 m -112.04 165.33 12.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.092 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -59.4 -19.84 50.29 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.902 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -98.03 2.65 49.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.053 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.541 ' OD2' ' N ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -108.77 139.42 43.61 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.24 -179.183 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.651 HD13 ' CE2' ' A' ' 33' ' ' TYR . 1.2 pp -89.28 154.4 3.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.842 0.353 . . . . 0.0 110.704 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.487 ' N ' HD12 ' A' ' 31' ' ' ILE . 85.4 t -123.8 118.7 54.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.625 179.325 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.792 ' CD1' ' HB2' ' A' ' 96' ' ' ALA . 9.6 m-30 -115.31 99.65 7.55 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 177.709 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.653 ' HB1' HD13 ' A' ' 42' ' ' ILE . . . -93.76 121.26 35.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.952 0.406 . . . . 0.0 110.549 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.612 HD12 ' HG2' ' A' ' 101' ' ' MET . 91.5 mt -63.12 -36.18 82.73 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -178.571 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -134.98 98.47 0.3 Allowed Glycine 0 CA--C 1.528 0.866 0 C-N-CA 120.486 -0.864 . . . . 0.0 112.484 -179.26 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.504 ' SG ' ' N ' ' A' ' 38' ' ' GLY . 22.4 p -85.05 -58.5 2.66 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 121.064 -0.255 . . . . 0.0 111.135 178.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.504 ' N ' ' SG ' ' A' ' 37' ' ' CYS . . . 80.17 10.09 85.88 Favored Glycine 0 CA--C 1.529 0.932 0 C-N-CA 121.022 -0.609 . . . . 0.0 111.766 179.537 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.422 ' CB ' ' O ' ' A' ' 38' ' ' GLY . 1.0 OUTLIER 166.1 -13.59 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 116.869 0.335 . . . . 0.0 111.235 179.709 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.428 ' H ' ' HB2' ' A' ' 37' ' ' CYS . . . 91.94 -7.07 79.29 Favored Glycine 0 C--O 1.22 -0.728 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 60.5 ttm-85 -56.6 -28.79 61.17 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.352 0.596 . . . . 0.0 109.961 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.653 HD13 ' HB1' ' A' ' 34' ' ' ALA . 13.8 tt -67.0 -43.51 89.05 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.334 -179.424 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.618 HG23 HG23 ' A' ' 42' ' ' ILE . 34.9 pt -91.87 -29.0 4.62 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -178.753 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 73.6 mt -61.27 -41.93 91.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.605 -0.271 . . . . 0.0 111.439 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 97.1 m -65.92 -22.95 66.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.215 0.531 . . . . 0.0 109.936 179.257 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.725 ' HB1' HG11 ' A' ' 52' ' ' VAL . . . -74.25 -67.74 0.59 Allowed 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.997 179.138 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.41 ' HA ' HG22 ' A' ' 52' ' ' VAL . . . -59.59 -38.02 80.11 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.498 -178.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -63.43 -45.62 90.07 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.266 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.55 ' CG ' HH22 ' A' ' 18' ' ' ARG . 33.8 t70 -106.6 -53.3 2.64 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -178.53 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.563 ' N ' ' O ' ' A' ' 46' ' ' ALA . 45.2 m-85 -69.9 -7.65 42.13 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.697 -0.401 . . . . 0.0 111.976 -178.634 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.534 ' OD1' ' NH2' ' A' ' 80' ' ' ARG . 55.3 t30 51.34 31.42 7.1 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.985 178.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.725 HG11 ' HB1' ' A' ' 46' ' ' ALA . 9.0 m -43.13 164.73 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.571 0 CA-C-O 121.223 0.535 . . . . 0.0 110.743 -179.049 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.4 ttmt -77.02 -50.38 13.25 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.32 178.176 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -145.81 129.05 16.72 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 114.64 -1.164 . . . . 0.0 109.45 -179.119 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.677 ' HB2' HG21 ' A' ' 52' ' ' VAL . . . -123.3 128.0 49.33 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.966 0.412 . . . . 0.0 110.796 -179.563 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.6 t -134.41 137.07 52.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -119.2 132.39 9.57 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 109.856 -1.297 . . . . 0.0 109.856 178.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 59.9 t -95.46 122.51 47.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 C-N-CA 120.267 -0.573 . . . . 0.0 109.643 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.455 ' HG3' ' H ' ' A' ' 38' ' ' GLY . 0.5 OUTLIER -163.05 139.15 7.08 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.908 -179.761 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.649 ' O ' HG23 ' A' ' 60' ' ' ILE . 18.8 tt -132.94 114.15 21.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.751 -0.658 . . . . 0.0 109.359 179.067 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.433 ' OD1' ' O ' ' A' ' 60' ' ' ILE . 81.9 m-20 -149.41 -173.76 4.48 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 -179.699 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.522 ' O ' HG22 ' A' ' 65' ' ' ILE . 16.3 t70 -114.4 -70.03 0.82 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.728 0.299 . . . . 0.0 110.786 179.651 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -71.69 -38.9 70.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.042 0.449 . . . . 0.0 111.245 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -80.84 -7.83 59.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.849 -178.654 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.522 HG22 ' O ' ' A' ' 62' ' ' ASP . 11.7 tt -65.91 -36.79 78.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 C-N-CA 119.96 -0.696 . . . . 0.0 110.523 -179.144 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.403 ' N ' ' CG2' ' A' ' 65' ' ' ILE . 7.8 ptm180 -78.24 -26.78 47.47 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.921 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -61.25 -49.37 77.38 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.479 -0.488 . . . . 0.0 111.054 -179.024 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.36 -40.07 92.95 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -178.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.451 HD23 HD11 ' A' ' 83' ' ' ILE . 29.4 mt -61.6 -40.73 95.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.162 0.506 . . . . 0.0 110.171 179.51 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.32 -38.64 91.94 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.507 -0.769 . . . . 0.0 111.874 -179.437 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 31.4 m120 -60.1 -44.55 94.74 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.332 -0.547 . . . . 0.0 111.03 -178.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.8 mp -55.76 -46.56 79.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.536 -0.466 . . . . 0.0 111.116 -178.518 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -63.73 -40.56 97.05 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.193 -0.603 . . . . 0.0 109.919 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -56.83 -39.52 74.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.342 -179.189 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -92.88 4.03 54.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.325 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 48.85 42.26 29.11 Favored Glycine 0 CA--C 1.526 0.771 0 C-N-CA 121.13 -0.557 . . . . 0.0 112.03 177.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 4.1 m -109.19 16.29 7.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.835 0.318 . . . . 0.0 111.334 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.4 p -46.23 162.83 0.04 OUTLIER 'General case' 0 CA--C 1.515 -0.389 0 CA-C-O 121.435 0.636 . . . . 0.0 111.192 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 77.21 -35.17 1.51 Allowed Glycine 0 N--CA 1.448 -0.563 0 CA-C-N 114.925 -1.034 . . . . 0.0 111.165 178.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.534 ' NH2' ' OD1' ' A' ' 51' ' ' ASN . 15.8 mtp180 -98.52 -23.63 15.45 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.224 -179.487 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -122.08 132.04 54.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.644 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.2 t -146.49 163.56 35.32 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.471 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.451 HD11 HD23 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -128.84 139.84 50.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.193 179.251 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 89.7 t -125.83 129.41 72.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.004 -179.449 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 11.3 ptpt -94.01 146.07 24.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.132 179.355 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.441 ' H ' ' HB ' ' A' ' 60' ' ' ILE . . . 135.5 -168.86 23.68 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.511 -1.035 . . . . 0.0 110.511 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -100.06 128.93 46.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.903 0.382 . . . . 0.0 110.613 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -45.16 -26.2 0.44 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.301 -179.195 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -61.34 -47.95 83.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.309 0.576 . . . . 0.0 110.109 178.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.57 -40.84 98.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.868 -179.141 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -84.33 151.12 3.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.538 -0.465 . . . . 0.0 111.023 -179.195 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -106.4 135.03 48.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.351 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 45.7 pt -122.77 15.26 5.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.141 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 88.1 p -59.71 -32.47 70.55 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.539 -0.465 . . . . 0.0 110.978 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.534 ' OE2' ' CZ ' ' A' ' 33' ' ' TYR . 2.2 pp20? -74.43 -17.74 60.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.862 0.363 . . . . 0.0 110.853 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.792 ' HB2' ' CD1' ' A' ' 33' ' ' TYR . . . -68.63 136.12 52.49 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.387 -178.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.524 HG23 HG23 ' A' ' 98' ' ' VAL . 11.1 t -97.24 -31.33 12.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.456 179.5 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.524 HG23 HG23 ' A' ' 97' ' ' THR . 73.8 t -129.76 128.81 65.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.074 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.431 HG12 ' HB2' ' A' ' 33' ' ' TYR . 19.6 m -135.89 151.17 28.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.578 178.612 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 72.1 p -135.52 161.01 36.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.649 179.406 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.612 ' HG2' HD12 ' A' ' 35' ' ' LEU . 65.4 mtt -126.54 145.74 50.4 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.003 0.43 . . . . 0.0 110.914 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -135.92 132.86 37.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.391 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.0 mt -56.3 124.94 19.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.92 0.391 . . . . 0.0 111.124 -178.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 88.6 mt -145.34 -74.67 0.23 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.143 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 93.9 m -124.04 130.32 52.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.561 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -71.41 149.58 45.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.585 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.513 HG22 ' H ' ' A' ' 109' ' ' GLU . 10.6 p -132.47 139.66 49.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.519 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -62.14 -39.72 93.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.97 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.513 ' H ' HG22 ' A' ' 107' ' ' VAL . 99.7 mt-10 -113.27 117.27 31.39 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.923 0.392 . . . . 0.0 110.798 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 72.8 mtm -71.16 -33.82 70.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.244 179.063 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 89.6 mt 56.33 65.46 1.42 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.179 179.566 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.599 ' N ' ' CD ' ' A' ' 113' ' ' PRO . 18.1 mttt -85.25 -40.92 0.64 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.263 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 112' ' ' LYS . 52.4 Cg_exo -57.17 -33.3 95.66 Favored 'Trans proline' 0 N--CA 1.499 1.808 0 C-N-CA 122.675 2.25 . . . . 0.0 112.648 -178.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt -61.83 -33.86 74.9 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.89 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 95.8 mt -58.74 -37.35 76.01 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.402 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -63.31 -23.79 67.57 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.004 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -99.86 -40.15 7.84 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.092 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -70.86 -51.51 26.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.796 0.331 . . . . 0.0 110.473 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.425 HD13 HG21 ' A' ' 123' ' ' THR . 86.0 mt -85.24 132.45 34.27 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.28 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -70.23 151.54 95.85 Favored Pre-proline 0 C--N 1.327 -0.411 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -58.18 142.04 96.95 Favored 'Trans proline' 0 C--N 1.31 -1.491 0 C-N-CA 121.299 1.333 . . . . 0.0 111.267 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 99.45 -5.87 58.97 Favored Glycine 0 CA--C 1.521 0.465 0 N-CA-C 110.702 -0.959 . . . . 0.0 110.702 -179.37 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' THR . . . . . 0.425 HG21 HD13 ' A' ' 119' ' ' LEU . 5.8 m -72.53 145.9 47.15 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 178.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.406 ' NH2' ' CB ' ' A' ' 25' ' ' LYS . 0.8 OUTLIER -105.85 132.2 52.25 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.027 0.442 . . . . 0.0 110.733 -179.62 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 58.0 t -123.22 128.68 75.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.894 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 57.7 t -119.16 123.35 71.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.774 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 48.8 m -92.62 160.62 14.93 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.56 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' HIS . . . . . 0.601 ' ND1' ' N ' ' A' ' 129' ' ' GLU . 56.3 t-80 -69.4 -104.49 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.195 -179.608 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.601 ' N ' ' ND1' ' A' ' 128' ' ' HIS . 88.4 tt0 -102.66 -37.66 7.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.103 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -73.99 144.62 45.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.348 -179.193 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -90.88 165.02 13.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.541 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 56.0 mt -95.06 113.32 29.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -77.56 149.93 34.81 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.107 -0.637 . . . . 0.0 110.164 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 82.65 -16.21 26.76 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 179.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' TRP . . . . . 0.46 ' CZ3' ' CE2' ' A' ' 155' ' ' TYR . 7.8 m0 -112.18 155.09 24.52 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.965 0.412 . . . . 0.0 111.258 -179.522 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -105.93 113.62 63.55 Favored Pre-proline 0 CA--C 1.538 0.486 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.333 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.29 151.43 54.4 Favored 'Trans proline' 0 N--CA 1.494 1.545 0 C-N-CA 121.572 1.515 . . . . 0.0 111.891 -179.512 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -86.49 -50.86 6.56 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.803 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -132.8 124.27 27.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.797 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 60.0 t -128.29 127.7 67.65 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.728 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 30.1 pt -140.26 164.13 22.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 121.3 0.571 . . . . 0.0 111.457 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.462 ' HG3' HG23 ' A' ' 151' ' ' THR . 23.0 mtpt -126.01 148.63 49.25 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.962 -1.017 . . . . 0.0 111.084 179.749 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 62.3 t -127.05 130.66 71.25 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.678 0 CA-C-N 114.805 -1.089 . . . . 0.0 108.868 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -107.26 125.39 51.09 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 179.116 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.547 ' C ' ' H ' ' A' ' 147' ' ' ASN . 15.8 t0 -113.16 156.26 23.53 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 121.737 0.78 . . . . 0.0 111.297 -178.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -46.94 -1.48 0.01 OUTLIER Glycine 0 CA--C 1.524 0.596 0 CA-C-N 114.122 -1.399 . . . . 0.0 113.665 -178.597 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' ASN . . . . . 0.547 ' H ' ' C ' ' A' ' 145' ' ' ASP . 25.2 m120 -137.45 -49.29 0.6 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 117.438 0.619 . . . . 0.0 110.828 178.668 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 97.6 mtp -144.59 164.95 29.39 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.377 -178.707 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 49.1 p30 -108.48 160.54 15.82 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.362 0.601 . . . . 0.0 110.956 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 -136.83 141.03 42.85 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.912 -179.181 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.462 HG23 ' HG3' ' A' ' 142' ' ' LYS . 32.6 m -121.44 139.03 54.0 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 179.123 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.582 HG11 ' HG2' ' A' ' 20' ' ' MET . 47.8 t -133.44 136.02 55.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.923 -179.182 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -106.74 133.8 50.85 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.776 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.521 HD22 ' HB ' ' A' ' 23' ' ' ILE . 63.1 tp -114.79 130.8 56.92 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.232 -0.894 . . . . 0.0 109.32 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 155' ' ' TYR . . . . . 0.46 ' CE2' ' CZ3' ' A' ' 135' ' ' TRP . 92.0 t80 -140.15 133.32 29.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.095 0.474 . . . . 0.0 111.704 -179.349 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 98.9 t -102.79 131.15 51.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.215 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 157' ' ' ILE . . . . . . . . . . . . . 47.3 mm -68.5 132.09 33.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.29 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 140.08 -39.13 1.53 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 159' ' ' GLU . . . . . 0.455 ' O ' ' OH ' ' A' ' 155' ' ' TYR . 99.2 mt-10 -135.53 118.02 15.83 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 179.165 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 160' ' ' HIS . . . . . 0.41 ' CG ' ' N ' ' A' ' 161' ' ' LYS . 52.3 p-80 -110.81 -144.36 0.39 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.215 -179.433 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 161' ' ' LYS . . . . . 0.41 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 30.6 ttpt -35.94 -51.15 0.7 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.079 -178.602 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.948 -1.025 . . . . 0.0 110.563 -179.999 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.5 mtm . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.8 m -127.83 152.26 48.02 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.739 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -107.83 147.91 30.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.359 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.401 HG22 ' H ' ' A' ' 4' ' ' VAL . 17.3 m -64.3 148.62 95.73 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.204 -179.582 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -70.71 154.97 63.66 Favored 'Trans proline' 0 N--CA 1.495 1.575 0 C-N-CA 122.352 2.035 . . . . 0.0 112.442 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -111.66 119.54 39.01 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 179.509 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.629 ' O ' HG13 ' A' ' 7' ' ' VAL . 7.0 p -129.29 84.27 62.88 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.824 -178.39 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.587 ' O ' HG13 ' A' ' 10' ' ' VAL . 52.4 Cg_exo -56.51 150.41 51.73 Favored 'Trans proline' 0 N--CA 1.495 1.568 0 C-N-CA 122.585 2.19 . . . . 0.0 111.211 179.137 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -53.27 122.55 9.78 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.324 -179.247 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.72 ' O ' HG23 ' A' ' 10' ' ' VAL . 31.1 m -114.18 107.17 52.17 Favored Pre-proline 0 CA--C 1.536 0.404 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.129 -179.315 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.467 ' CB ' ' NH2' ' A' ' 41' ' ' ARG . 61.6 Cg_exo -53.52 144.76 50.18 Favored 'Trans proline' 0 N--CA 1.496 1.641 0 C-N-CA 121.597 1.531 . . . . 0.0 110.878 178.668 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.1 p -65.66 156.59 82.4 Favored Pre-proline 0 CA--C 1.535 0.384 0 C-N-CA 120.554 -0.459 . . . . 0.0 110.675 -178.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -58.62 150.63 68.42 Favored 'Trans proline' 0 N--CA 1.497 1.708 0 C-N-CA 121.944 1.763 . . . . 0.0 112.46 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 53.3 mp0 -61.06 -17.37 52.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.708 179.575 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 59.9 mtpt -59.17 -38.14 79.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.465 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 73.9 t -61.52 -44.61 98.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.669 179.384 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 66.5 t -63.11 -39.73 86.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.787 178.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.535 ' NH2' ' OD2' ' A' ' 49' ' ' ASP . 9.3 mmm180 -60.13 -40.63 90.43 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.686 -179.541 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.7 mmt180 -68.59 -40.14 80.64 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.525 -0.47 . . . . 0.0 112.146 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 76.4 mtm -63.37 -35.87 81.82 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.048 0.451 . . . . 0.0 110.386 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 87.5 mt -68.22 -40.55 82.05 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.683 -0.689 . . . . 0.0 112.099 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -64.24 -44.45 91.77 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -178.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.417 ' C ' ' H ' ' A' ' 25' ' ' LYS . 37.7 pt -71.56 -29.89 36.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.214 -178.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.532 ' HB1' HG13 ' A' ' 98' ' ' VAL . . . -82.44 29.25 0.44 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.268 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.417 ' H ' ' C ' ' A' ' 23' ' ' ILE . 45.6 mmtm 32.38 53.36 0.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.856 177.748 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 93.7 t -85.04 108.45 16.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.201 0.524 . . . . 0.0 111.015 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.461 ' H ' ' HB2' ' A' ' 30' ' ' ASP . 70.6 m -110.8 165.63 11.68 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.494 179.426 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -58.96 -19.34 42.2 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.901 -179.491 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -96.32 -2.04 46.65 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.181 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.461 ' HB2' ' H ' ' A' ' 27' ' ' SER . 97.2 m-20 -106.23 142.05 36.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.809 0.337 . . . . 0.0 110.691 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.563 HD11 ' HA ' ' A' ' 96' ' ' ALA . 1.4 pp -92.62 157.95 2.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.531 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.448 ' N ' HD12 ' A' ' 31' ' ' ILE . 95.6 t -123.17 119.08 56.69 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.14 0 CA-C-O 121.125 0.488 . . . . 0.0 111.264 179.353 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.539 ' CZ ' ' OE2' ' A' ' 95' ' ' GLU . 2.1 m-30 -116.65 113.94 23.38 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 178.274 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -134.06 148.09 51.0 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.637 -178.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.469 HD12 ' H ' ' A' ' 35' ' ' LEU . 0.6 OUTLIER -110.34 6.34 22.28 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.324 179.592 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.46 ' O ' ' O ' ' A' ' 37' ' ' CYS . . . -94.46 11.51 70.1 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.585 ' SG ' ' N ' ' A' ' 40' ' ' GLY . 20.0 t -45.81 -100.74 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.635 0.255 . . . . 0.0 111.001 -179.4 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.542 ' N ' ' SG ' ' A' ' 37' ' ' CYS . . . 74.85 8.06 81.75 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.428 -1.069 . . . . 0.0 110.428 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 177.25 -20.14 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.808 0.337 . . . . 0.0 110.813 -179.602 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.585 ' N ' ' SG ' ' A' ' 37' ' ' CYS . . . 90.59 -6.76 82.08 Favored Glycine 0 C--O 1.217 -0.927 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.467 ' NH2' ' CB ' ' A' ' 11' ' ' PRO . 21.2 ptp180 -59.31 -21.5 59.82 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.998 -179.404 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.624 HG23 HG23 ' A' ' 43' ' ' ILE . 17.3 tt -76.24 -43.1 37.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.624 HG23 HG23 ' A' ' 42' ' ' ILE . 35.9 pt -90.03 -29.59 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -179.388 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.488 ' CD1' ' ND2' ' A' ' 71' ' ' ASN . 74.7 mt -62.31 -41.99 93.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 111.489 0.181 . . . . 0.0 111.489 179.521 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 98.9 m -65.44 -25.0 67.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.194 0.521 . . . . 0.0 109.746 179.409 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.649 ' HB1' HG11 ' A' ' 52' ' ' VAL . . . -72.05 -67.45 0.54 Allowed 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.891 179.105 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.57 -38.31 80.79 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.604 -179.033 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -63.35 -45.0 93.23 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.4 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.535 ' OD2' ' NH2' ' A' ' 18' ' ' ARG . 66.8 t0 -108.23 -52.69 2.73 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -178.507 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.556 ' N ' ' O ' ' A' ' 46' ' ' ALA . 47.7 m-85 -71.13 -7.85 49.46 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -178.506 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 57.9 t30 50.65 33.68 8.58 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.506 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.692 HG21 ' HB2' ' A' ' 55' ' ' ALA . 17.6 m -44.09 163.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.309 0.576 . . . . 0.0 111.339 -178.67 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -73.68 -50.44 20.88 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.106 -0.952 . . . . 0.0 108.874 177.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.2 ttpt -148.66 129.67 14.41 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.043 -0.98 . . . . 0.0 109.434 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.692 ' HB2' HG21 ' A' ' 52' ' ' VAL . . . -121.56 130.44 53.52 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.998 0.427 . . . . 0.0 110.321 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 64.9 t -134.85 135.13 53.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.09 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -110.22 130.32 9.82 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.48 -1.048 . . . . 0.0 110.48 178.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 84.7 t -101.69 123.18 54.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.117 -0.698 . . . . 0.0 109.117 179.424 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -170.97 148.32 2.78 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.32 -0.552 . . . . 0.0 110.971 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.662 ' O ' HG23 ' A' ' 60' ' ' ILE . 20.5 tt -132.67 114.69 23.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 178.697 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.408 ' OD1' ' CA ' ' A' ' 65' ' ' ILE . 33.0 p30 -151.06 177.51 10.11 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.522 ' O ' HG22 ' A' ' 65' ' ' ILE . 98.5 m-20 -108.6 -69.85 0.83 Allowed 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.846 -0.342 . . . . 0.0 111.458 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.438 ' O ' ' OE1' ' A' ' 67' ' ' GLU . 61.4 mp0 -68.96 -39.09 79.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.69 -179.062 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -76.52 -7.63 55.54 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.579 -178.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.522 HG22 ' O ' ' A' ' 62' ' ' ASP . 3.1 tp -59.95 -39.99 81.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.516 -179.254 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.476 ' N ' ' CG2' ' A' ' 65' ' ' ILE . 8.3 ptp180 -78.75 -25.23 44.49 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.503 -179.162 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.438 ' OE1' ' O ' ' A' ' 63' ' ' GLU . 4.6 mp0 -62.71 -55.12 29.6 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.32 -0.552 . . . . 0.0 110.834 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.18 -42.11 94.31 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -178.466 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.565 HD23 HD11 ' A' ' 83' ' ' ILE . 25.7 mt -62.42 -42.08 99.18 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.321 -0.552 . . . . 0.0 109.792 179.621 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.18 -38.95 93.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.896 -179.167 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.488 ' ND2' ' CD1' ' A' ' 44' ' ' ILE . 31.9 t-20 -59.72 -45.08 93.27 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.349 -0.54 . . . . 0.0 110.388 -178.482 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 27.6 mt -54.96 -46.91 76.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.319 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -64.51 -41.17 96.58 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 119.899 -0.72 . . . . 0.0 109.704 178.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -57.24 -39.87 76.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.243 -179.22 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -92.38 3.16 55.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.477 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 49.23 43.83 33.91 Favored Glycine 0 CA--C 1.526 0.755 0 C-N-CA 121.003 -0.618 . . . . 0.0 112.209 177.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 4.5 m -107.5 13.2 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.933 0.367 . . . . 0.0 111.247 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -54.05 125.96 20.84 Favored 'General case' 0 CA--C 1.522 -0.102 0 C-N-CA 120.424 -0.511 . . . . 0.0 110.439 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 112.17 -10.44 26.82 Favored Glycine 0 CA--C 1.517 0.162 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 -179.309 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.651 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 88.0 mtt180 -126.45 -25.79 3.4 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 108.984 -0.746 . . . . 0.0 108.984 178.667 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -126.87 135.71 51.34 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.752 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 96.4 p -150.86 168.46 24.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.149 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.565 HD11 HD23 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -130.08 139.25 51.94 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.139 0 CA-C-O 120.901 0.381 . . . . 0.0 110.929 179.689 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 82.5 t -123.81 128.16 74.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.253 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -100.19 154.66 18.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.362 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 134.52 -164.4 24.62 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.713 -0.955 . . . . 0.0 110.713 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -98.67 128.69 45.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.858 0.361 . . . . 0.0 110.572 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -48.14 -30.97 5.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.094 -179.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -64.08 -46.52 83.95 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.122 0.487 . . . . 0.0 110.334 178.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -61.72 -41.82 98.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.388 -0.823 . . . . 0.0 111.852 -178.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.523 HG22 ' N ' ' A' ' 92' ' ' ASP . 14.1 p -87.49 160.35 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 120.524 -0.471 . . . . 0.0 110.592 -179.579 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.523 ' N ' HG22 ' A' ' 91' ' ' VAL . 54.0 p-10 -119.72 139.69 51.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.963 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 46.3 pt -118.77 16.13 6.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.978 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 88.7 p -59.8 -28.57 67.55 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.551 -0.46 . . . . 0.0 110.837 -179.29 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.539 ' OE2' ' CZ ' ' A' ' 33' ' ' TYR . 2.6 pp20? -71.97 -19.5 61.88 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.055 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.563 ' HA ' HD11 ' A' ' 31' ' ' ILE . . . -69.98 136.47 50.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 112.084 -179.032 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.528 HG23 HG23 ' A' ' 98' ' ' VAL . 12.4 t -98.77 -25.79 14.54 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.139 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.532 HG13 ' HB1' ' A' ' 24' ' ' ALA . 55.6 t -129.37 129.5 67.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.536 179.371 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.451 HG12 ' N ' ' A' ' 100' ' ' THR . 98.5 t -141.55 154.07 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.112 0.482 . . . . 0.0 111.952 -179.34 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.451 ' N ' HG12 ' A' ' 99' ' ' VAL . 8.5 t -132.2 152.28 51.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.745 179.543 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 66.4 ttp -121.59 131.9 54.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.075 -179.315 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -109.07 151.27 26.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.648 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.8 pp -41.86 131.64 3.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.443 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.8 mp -112.64 152.63 28.73 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.151 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 69.3 p -65.43 -30.33 71.11 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.512 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 57.2 p30 -156.19 166.3 33.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.597 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.98 HG22 ' H ' ' A' ' 109' ' ' GLU . 12.2 p -158.96 138.89 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.655 179.716 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.487 ' C ' ' H ' ' A' ' 110' ' ' MET . 98.5 m-20 -100.06 7.04 44.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.158 179.502 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.98 ' H ' HG22 ' A' ' 107' ' ' VAL . 77.1 mm-40 58.05 2.06 0.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.922 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.487 ' H ' ' C ' ' A' ' 108' ' ' ASN . 22.7 mmt -86.9 -12.63 47.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.798 0.332 . . . . 0.0 110.659 179.505 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 94.0 mt -84.15 -19.76 33.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.706 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.415 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 5.4 mptp? -61.78 -56.25 34.21 Favored Pre-proline 0 CA--C 1.534 0.338 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.267 179.632 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.415 ' HD2' ' N ' ' A' ' 112' ' ' LYS . 43.5 Cg_endo -66.79 -20.89 51.79 Favored 'Trans proline' 0 N--CA 1.495 1.559 0 C-N-CA 121.853 1.702 . . . . 0.0 112.088 179.151 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 20.8 ttmm -61.75 -37.95 86.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.691 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 97.7 mt -60.61 -29.16 69.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.16 -179.049 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.516 ' OE2' ' NE2' ' A' ' 160' ' ' HIS . 91.7 mt-10 -63.2 -23.82 67.6 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 121.072 -0.251 . . . . 0.0 110.605 -179.446 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -98.28 -39.22 8.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.269 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -74.08 -53.36 10.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.295 -178.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 85.0 mt -83.78 137.04 33.92 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.254 -0.43 . . . . 0.0 109.919 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 10.3 ptpp? -76.09 156.76 83.87 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.997 -179.277 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -58.81 137.83 82.24 Favored 'Trans proline' 0 N--CA 1.495 1.561 0 C-N-CA 121.454 1.436 . . . . 0.0 111.703 178.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 96.33 1.35 60.86 Favored Glycine 0 CA--C 1.521 0.439 0 N-CA-C 111.397 -0.681 . . . . 0.0 111.397 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 1.3 m -76.79 149.39 36.26 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 5.4 mmt-85 -98.87 126.41 44.53 Favored 'General case' 0 C--O 1.231 0.131 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.481 -178.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 64.4 t -122.39 128.18 75.35 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.124 178.325 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 79.9 t -123.2 125.86 72.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -178.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 47.6 t -99.93 139.55 35.43 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 178.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 42.0 t-80 -49.28 -97.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.668 -178.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -113.29 -20.08 11.52 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.666 0.269 . . . . 0.0 111.122 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -85.02 131.66 34.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.922 0.391 . . . . 0.0 110.808 -179.187 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -81.54 157.06 24.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.303 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.698 HD12 ' CE1' ' A' ' 155' ' ' TYR . 78.1 mt -92.17 120.43 41.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 62.5 ttm-85 -76.61 138.98 40.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.13 179.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 90.21 -21.45 31.35 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 179.234 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 10.9 m0 -103.17 146.76 27.92 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.997 0.427 . . . . 0.0 111.295 -179.341 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -101.08 113.42 65.81 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.508 179.067 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.02 148.63 57.33 Favored 'Trans proline' 0 N--CA 1.492 1.44 0 C-N-CA 121.333 1.356 . . . . 0.0 112.309 -178.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -85.71 -49.54 7.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.632 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -129.73 123.99 32.4 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.361 -179.397 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 63.2 t -127.21 123.35 61.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.091 179.356 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.4 HG21 HD13 ' A' ' 141' ' ' ILE . 23.5 pt -141.18 164.32 20.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.066 0.46 . . . . 0.0 111.259 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt -120.44 151.47 39.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.362 -0.836 . . . . 0.0 111.993 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 58.6 t -124.89 129.57 73.46 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.186 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' GLU . . . . . 0.411 ' N ' ' OE1' ' A' ' 144' ' ' GLU . 42.3 mp0 -112.65 118.89 36.29 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -138.19 98.8 3.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.759 0.314 . . . . 0.0 110.626 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 96.85 -120.13 6.59 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -115.4 17.04 16.64 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.738 0.304 . . . . 0.0 110.474 179.522 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 64.1 mtt -140.97 158.48 43.88 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.475 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 27.0 p30 -127.0 164.4 21.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.173 0.511 . . . . 0.0 110.826 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -137.38 148.15 46.01 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.937 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 36.2 m -122.04 139.98 53.05 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 66.3 t -126.85 132.19 70.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.652 -179.063 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -109.74 129.25 55.64 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.367 179.395 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 42.0 tp -114.22 123.58 49.92 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.807 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' TYR . . . . . 0.698 ' CE1' HD12 ' A' ' 132' ' ' ILE . 89.7 m-85 -116.17 166.53 11.92 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 65.6 t -133.06 126.24 53.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.494 178.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 157' ' ' ILE . . . . . . . . . . . . . 42.6 mm -67.52 131.92 32.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.528 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 120.49 -39.36 2.45 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 159' ' ' GLU . . . . . 0.451 ' C ' ' ND1' ' A' ' 160' ' ' HIS . 88.5 tt0 -139.62 130.75 26.5 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 179.676 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 160' ' ' HIS . . . . . 0.643 ' CD2' ' H ' ' A' ' 161' ' ' LYS . 3.8 p-80 -171.4 -75.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.217 -179.585 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 161' ' ' LYS . . . . . 0.643 ' H ' ' CD2' ' A' ' 160' ' ' HIS . 98.2 mttt -10.08 -84.75 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.356 0 O-C-N 124.32 1.013 . . . . 0.0 112.548 -178.795 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.586 -179.997 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.3 mtm . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.2 t -133.3 121.38 22.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.693 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -118.78 -27.04 5.92 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.435 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.634 ' O ' HG23 ' A' ' 4' ' ' VAL . 33.2 m -130.82 66.13 78.13 Favored Pre-proline 0 C--N 1.332 -0.181 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.431 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -68.18 -24.18 38.51 Favored 'Trans proline' 0 N--CA 1.494 1.505 0 C-N-CA 122.25 1.967 . . . . 0.0 112.423 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -68.48 123.44 20.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.628 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 28.6 m -135.56 150.38 71.96 Favored Pre-proline 0 CA--C 1.535 0.373 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.129 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -69.71 153.57 69.0 Favored 'Trans proline' 0 N--CA 1.497 1.692 0 C-N-CA 122.112 1.875 . . . . 0.0 111.652 179.24 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -73.2 117.27 14.74 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.985 -179.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.725 ' O ' HG23 ' A' ' 10' ' ' VAL . 31.4 m -109.16 108.31 60.31 Favored Pre-proline 0 CA--C 1.538 0.517 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.977 -179.639 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_exo -53.41 144.22 51.29 Favored 'Trans proline' 0 N--CA 1.497 1.69 0 C-N-CA 121.763 1.642 . . . . 0.0 111.757 179.006 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 68.5 p -68.78 157.35 88.95 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.431 -179.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -58.35 150.21 68.84 Favored 'Trans proline' 0 N--CA 1.498 1.739 0 C-N-CA 121.79 1.66 . . . . 0.0 111.945 179.337 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -60.68 -19.34 58.23 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -54.59 -28.4 46.0 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.102 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.66 -45.44 97.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.818 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -68.97 -30.09 45.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.512 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.519 ' NH2' ' OD2' ' A' ' 49' ' ' ASP . 8.0 mmm180 -61.18 -42.66 98.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.747 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 -68.36 -38.29 81.28 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.661 -0.415 . . . . 0.0 111.313 179.193 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 64.6 mtt -62.66 -36.99 84.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.257 0.551 . . . . 0.0 110.593 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 86.7 mt -70.95 -40.6 71.91 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.653 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -65.74 -45.23 83.38 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -178.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 39.0 pt -66.97 -35.98 76.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.898 -178.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.54 -9.71 37.69 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.232 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.1 tptt 70.55 45.2 0.62 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.281 0.562 . . . . 0.0 110.462 179.362 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 86.8 t -80.59 112.51 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.504 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.456 ' H ' ' HB2' ' A' ' 30' ' ' ASP . 74.3 m -114.42 165.75 12.4 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.798 179.63 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -58.04 -21.23 44.41 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.412 -178.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 59.1 p30 -98.83 7.24 46.26 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.606 -0.437 . . . . 0.0 111.157 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.456 ' HB2' ' H ' ' A' ' 27' ' ' SER . 97.1 m-20 -112.05 138.38 48.79 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.4 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.6 HD11 ' HA ' ' A' ' 96' ' ' ALA . 1.3 pp -91.02 153.2 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.904 0.383 . . . . 0.0 110.646 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 95.1 t -120.37 118.3 56.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.252 179.298 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.561 ' CD1' HD13 ' A' ' 31' ' ' ILE . 2.4 m-30 -117.06 100.27 7.63 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.54 179.394 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.559 ' HB1' HD13 ' A' ' 42' ' ' ILE . . . -98.58 125.44 43.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.149 0.5 . . . . 0.0 110.097 179.728 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.458 ' O ' ' O ' ' A' ' 58' ' ' VAL . 91.6 mt -63.63 -35.37 80.29 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -177.791 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -137.22 91.18 0.21 Allowed Glycine 0 CA--C 1.53 0.993 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.508 -178.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.498 ' SG ' ' N ' ' A' ' 38' ' ' GLY . 18.2 p -73.01 -58.09 3.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 117.113 0.456 . . . . 0.0 110.973 179.14 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.498 ' N ' ' SG ' ' A' ' 37' ' ' CYS . . . 79.4 4.36 89.06 Favored Glycine 0 CA--C 1.528 0.903 0 C-N-CA 120.972 -0.633 . . . . 0.0 111.937 179.138 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.8 p30 175.44 -13.59 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.757 0.313 . . . . 0.0 111.336 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.456 ' H ' ' HB2' ' A' ' 37' ' ' CYS . . . 87.05 -4.14 86.51 Favored Glycine 0 C--O 1.217 -0.952 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -58.83 -37.53 76.63 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.322 0.582 . . . . 0.0 110.092 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.621 HG23 HG23 ' A' ' 43' ' ' ILE . 18.1 tt -59.87 -42.37 88.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.532 -179.15 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.621 HG23 HG23 ' A' ' 42' ' ' ILE . 35.8 pt -90.82 -31.61 5.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -179.042 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 68.0 mt -62.06 -41.74 92.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 111.692 0.256 . . . . 0.0 111.692 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 92.3 m -65.39 -25.13 67.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.378 0.609 . . . . 0.0 109.628 179.213 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.612 ' HB1' HG11 ' A' ' 52' ' ' VAL . . . -71.92 -67.84 0.5 Allowed 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.938 179.241 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.17 -37.99 78.68 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.615 -178.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.89 -46.61 87.01 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.701 -0.4 . . . . 0.0 111.38 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.519 ' OD2' ' NH2' ' A' ' 18' ' ' ARG . 66.5 t0 -107.75 -50.65 3.03 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 -178.279 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.55 ' N ' ' O ' ' A' ' 46' ' ' ALA . 47.5 m-85 -72.87 -7.68 52.01 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.791 -178.507 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 58.9 t30 50.27 34.2 8.48 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 178.676 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.681 HG21 ' HB2' ' A' ' 55' ' ' ALA . 15.6 m -45.06 164.09 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 CA-C-O 121.219 0.533 . . . . 0.0 111.044 -179.082 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -74.21 -51.03 16.66 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.188 178.161 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -146.04 129.79 17.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.189 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.681 ' HB2' HG21 ' A' ' 52' ' ' VAL . . . -121.76 127.51 50.74 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.024 0.44 . . . . 0.0 110.469 -179.704 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.3 t -136.01 137.55 48.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.086 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -119.58 134.9 10.88 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 109.929 -1.268 . . . . 0.0 109.929 178.509 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.458 ' O ' ' O ' ' A' ' 35' ' ' LEU . 58.8 t -98.97 124.29 52.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 C-N-CA 120.553 -0.459 . . . . 0.0 109.971 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -167.18 142.79 4.15 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.341 -0.543 . . . . 0.0 110.941 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.684 ' O ' HG23 ' A' ' 60' ' ' ILE . 17.8 tt -134.27 112.37 15.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 178.375 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.432 ' H ' HG12 ' A' ' 65' ' ' ILE . 12.4 t-20 -151.26 -171.37 3.92 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 -179.569 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -115.39 -67.75 0.97 Allowed 'General case' 0 C--N 1.328 -0.346 0 O-C-N 123.282 0.364 . . . . 0.0 110.979 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -71.07 -39.15 72.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.784 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 85.7 mtp180 -84.83 -6.84 59.35 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.236 -179.061 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.432 HG12 ' H ' ' A' ' 61' ' ' ASN . 0.4 OUTLIER -70.2 -37.86 72.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.295 -179.527 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -81.0 -27.34 35.9 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.915 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -62.0 -46.82 87.55 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.01 -179.243 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.43 -40.56 94.9 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 -179.001 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.566 HD23 HD11 ' A' ' 83' ' ' ILE . 23.3 mt -61.93 -41.28 97.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.129 0.49 . . . . 0.0 110.002 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.39 -39.15 93.72 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.107 -179.323 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -60.31 -42.69 96.09 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.476 -0.49 . . . . 0.0 111.344 -178.374 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.463 HG23 HG23 ' A' ' 77' ' ' VAL . 76.1 mt -57.52 -46.17 86.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 C-N-CA 120.461 -0.496 . . . . 0.0 111.198 -178.821 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.99 -40.92 99.21 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.043 -0.663 . . . . 0.0 109.622 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -56.89 -39.78 75.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.314 -179.243 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -92.11 2.86 56.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.268 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 49.39 42.56 33.99 Favored Glycine 0 CA--C 1.524 0.641 0 C-N-CA 120.978 -0.63 . . . . 0.0 111.915 178.01 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.463 HG23 HG23 ' A' ' 72' ' ' ILE . 5.3 m -110.56 16.68 7.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.832 0.316 . . . . 0.0 111.414 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.2 p -46.59 163.07 0.04 OUTLIER 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 120.326 -0.55 . . . . 0.0 110.755 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 78.39 -35.19 1.77 Allowed Glycine 0 CA--C 1.522 0.516 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.188 178.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.546 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 65.1 mtt180 -99.09 -24.25 14.96 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 120.478 -0.489 . . . . 0.0 109.996 -179.638 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -121.56 132.19 54.55 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.389 -179.239 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 89.7 p -147.91 165.79 29.6 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.293 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.566 HD11 HD23 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -129.91 140.1 49.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.074 179.634 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 90.1 t -125.07 128.26 72.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.843 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 11.9 ptpt -96.23 150.98 19.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.183 179.453 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.432 ' H ' ' HB ' ' A' ' 60' ' ' ILE . . . 133.28 -165.13 24.15 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.482 -1.047 . . . . 0.0 110.482 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -99.42 126.5 45.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.038 0.446 . . . . 0.0 110.683 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.587 ' CE2' HG22 ' A' ' 107' ' ' VAL . 55.4 p90 -49.43 -30.73 8.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.547 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 93.5 t80 -61.98 -47.72 83.55 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.214 0.531 . . . . 0.0 110.039 178.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.16 -40.19 96.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.812 -179.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -82.82 153.43 3.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.661 -179.4 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -105.08 131.84 52.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.591 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 43.5 pt -123.47 13.48 5.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.986 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.462 ' CB ' ' O ' ' A' ' 118' ' ' GLU . 96.5 p -58.99 -27.92 65.86 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.629 -0.429 . . . . 0.0 110.501 -179.242 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -70.18 -16.46 63.08 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.186 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.6 ' HA ' HD11 ' A' ' 31' ' ' ILE . . . -66.42 128.84 37.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.909 -178.514 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.81 HG23 HG23 ' A' ' 98' ' ' VAL . 7.4 t -94.14 -30.7 14.5 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 178.455 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.81 HG23 HG23 ' A' ' 97' ' ' THR . 76.5 t -129.26 129.38 67.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.101 179.257 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 97.4 t -138.58 150.38 24.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.205 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.45 ' HG1' ' HZ ' ' A' ' 102' ' ' PHE . 68.0 p -121.03 157.74 29.34 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.504 179.628 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 60.4 ttm -139.15 140.98 38.04 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 120.964 0.412 . . . . 0.0 111.006 -179.338 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.45 ' HZ ' ' HG1' ' A' ' 100' ' ' THR . 0.0 OUTLIER -142.16 166.79 23.73 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.652 -179.692 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 83.9 mt -56.45 118.74 5.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.828 0.347 . . . . 0.0 110.239 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 94.8 mt -137.21 144.93 43.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.73 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 82.6 p -103.37 -11.09 18.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.958 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -61.77 -40.18 94.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.693 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.587 HG22 ' CE2' ' A' ' 88' ' ' PHE . 66.3 t -104.9 119.85 54.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.648 -179.663 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -110.41 -31.38 7.3 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.556 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.491 ' O ' ' CG ' ' A' ' 110' ' ' MET . 99.2 mt-10 -141.73 158.44 43.8 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 -179.689 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.491 ' CG ' ' O ' ' A' ' 109' ' ' GLU . 0.6 OUTLIER 154.12 -1.91 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.552 0 O-C-N 124.289 0.993 . . . . 0.0 111.433 179.407 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 37.6 mt 61.83 119.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.692 0.282 . . . . 0.0 110.889 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.49 ' N ' ' CD ' ' A' ' 113' ' ' PRO . 50.4 mttt -60.57 -43.25 91.97 Favored Pre-proline 0 CA--C 1.533 0.305 0 N-CA-C 112.146 0.425 . . . . 0.0 112.146 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.49 ' CD ' ' N ' ' A' ' 112' ' ' LYS . 73.1 Cg_exo -48.99 -10.73 0.13 Allowed 'Trans proline' 0 N--CA 1.495 1.582 0 C-N-CA 122.209 1.939 . . . . 0.0 112.265 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 112' ' ' LYS . 16.9 ttmm -60.69 -37.04 80.32 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.48 179.727 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 96.1 mt -59.75 -35.19 74.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.543 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.532 ' OE2' ' CG ' ' A' ' 160' ' ' HIS . 97.6 mt-10 -60.59 -23.97 65.1 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.248 -179.725 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -97.84 -41.07 8.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.148 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.462 ' O ' ' CB ' ' A' ' 94' ' ' SER . 79.6 mm-40 -72.07 -50.68 26.3 Favored 'General case' 0 C--N 1.333 -0.12 0 C-N-CA 120.611 -0.435 . . . . 0.0 111.098 -179.368 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.747 HD23 HG21 ' A' ' 123' ' ' THR . 5.9 mp -83.82 133.19 34.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.885 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -73.96 150.5 88.16 Favored Pre-proline 0 C--N 1.326 -0.422 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.558 -179.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -52.65 137.97 58.75 Favored 'Trans proline' 0 N--CA 1.495 1.597 0 C-N-CA 121.394 1.396 . . . . 0.0 111.911 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 101.13 -2.51 54.9 Favored Glycine 0 CA--C 1.521 0.42 0 N-CA-C 111.329 -0.709 . . . . 0.0 111.329 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' THR . . . . . 0.747 HG21 HD23 ' A' ' 119' ' ' LEU . 4.4 m -73.35 146.95 44.82 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 178.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.413 ' NH2' HG22 ' A' ' 156' ' ' VAL . 14.8 mmm180 -99.39 127.37 45.42 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 -179.1 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 62.7 t -123.93 128.53 74.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.799 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 84.4 t -117.33 120.21 64.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.215 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 48.5 t -99.15 148.77 23.74 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.84 0.352 . . . . 0.0 110.638 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' HIS . . . . . 0.523 ' CD2' ' N ' ' A' ' 128' ' ' HIS . 0.1 OUTLIER -53.95 -104.73 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.398 -179.221 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -112.99 -16.98 12.56 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.706 -179.134 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.495 ' H ' ' CD2' ' A' ' 128' ' ' HIS . 75.9 m-85 -84.38 124.78 31.67 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.145 0.498 . . . . 0.0 111.266 -179.192 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -74.27 140.6 45.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.045 179.272 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 74.0 mt -76.55 116.13 19.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 C-N-CA 120.495 -0.482 . . . . 0.0 109.753 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -77.46 139.2 39.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.32 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 92.92 -24.72 23.09 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 179.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' TRP . . . . . 0.576 ' CZ3' ' CE2' ' A' ' 155' ' ' TYR . 28.2 m0 -97.31 -176.93 3.66 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.774 0.321 . . . . 0.0 110.349 -179.703 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -132.51 110.09 13.57 Favored Pre-proline 0 CA--C 1.535 0.4 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.838 178.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 146.63 60.68 Favored 'Trans proline' 0 N--CA 1.494 1.511 0 C-N-CA 121.177 1.252 . . . . 0.0 112.165 -179.012 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -84.34 -49.44 8.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.157 179.34 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -141.28 128.88 21.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.542 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.723 HG21 ' CE2' ' A' ' 153' ' ' TYR . 14.1 p -139.68 131.79 34.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 21.7 pt -140.41 170.21 14.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.02 -179.465 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 35.7 mtpt -118.95 154.09 33.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.42 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 58.3 t -128.76 129.67 68.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.21 -0.905 . . . . 0.0 108.906 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -117.44 126.03 51.94 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 123.166 0.291 . . . . 0.0 110.441 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -133.88 104.55 6.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.125 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 83.88 -102.48 2.48 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.562 -1.015 . . . . 0.0 110.562 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -129.76 17.71 5.73 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.834 0.35 . . . . 0.0 110.118 179.402 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 79.6 mtm -117.44 175.6 5.55 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.953 -179.244 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 40.3 p30 -154.58 149.56 26.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.022 178.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -136.95 144.98 43.69 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.067 -0.97 . . . . 0.0 109.918 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.417 ' O ' ' O ' ' A' ' 128' ' ' HIS . 28.3 m -124.75 141.87 51.81 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.676 ' O ' HG23 ' A' ' 140' ' ' VAL . 9.2 p -135.55 139.16 47.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.001 0.429 . . . . 0.0 110.911 -179.468 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 153' ' ' TYR . . . . . 0.723 ' CE2' HG21 ' A' ' 140' ' ' VAL . 81.0 m-85 -112.49 133.21 54.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.783 179.714 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 62.5 tp -109.05 128.4 54.94 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 178.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' TYR . . . . . 0.576 ' CE2' ' CZ3' ' A' ' 135' ' ' TRP . 75.3 t80 -136.37 130.14 32.36 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.997 0.427 . . . . 0.0 111.209 -178.483 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 156' ' ' VAL . . . . . 0.413 HG22 ' NH2' ' A' ' 124' ' ' ARG . 66.4 t -98.53 131.02 46.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.689 -179.649 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 157' ' ' ILE . . . . . . . . . . . . . 48.3 mm -70.35 131.27 34.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.529 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 139.92 -31.08 2.32 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 159' ' ' GLU . . . . . 0.448 ' O ' ' OH ' ' A' ' 155' ' ' TYR . 47.0 mp0 -135.89 105.41 6.09 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 179.463 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 160' ' ' HIS . . . . . 0.56 ' ND1' ' O ' ' A' ' 160' ' ' HIS . 26.1 p80 -118.24 99.42 6.85 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.046 -179.62 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 17.6 mtpt 166.23 -71.44 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.593 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 117.929 -1.034 . . . . 0.0 110.456 -179.754 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.7 mtt . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.3 p -153.93 161.21 42.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.432 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.407 ' CE2' ' O ' ' A' ' 5' ' ' PRO . 41.9 t80 -133.93 89.26 2.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.166 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.605 ' N ' ' CD ' ' A' ' 5' ' ' PRO . 2.0 t -68.2 -37.79 11.89 Favored Pre-proline 0 CA--C 1.532 0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.444 -179.574 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 4' ' ' VAL . 34.7 Cg_exo -60.08 150.02 81.31 Favored 'Trans proline' 0 N--CA 1.498 1.748 0 C-N-CA 122.435 2.09 . . . . 0.0 112.206 -179.295 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -79.49 151.33 30.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.032 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.662 ' O ' HG22 ' A' ' 7' ' ' VAL . 7.7 p -130.15 64.1 71.32 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.084 -179.486 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -73.36 153.3 50.43 Favored 'Trans proline' 0 C--N 1.306 -1.674 0 C-N-CA 122.689 2.259 . . . . 0.0 111.947 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -62.03 131.36 49.35 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 58.4 t -115.41 107.88 48.48 Favored Pre-proline 0 CA--C 1.538 0.495 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.167 -179.456 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -74.45 150.86 41.67 Favored 'Trans proline' 0 N--CA 1.493 1.445 0 C-N-CA 121.464 1.443 . . . . 0.0 111.519 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 71.4 p -71.4 157.28 90.33 Favored Pre-proline 0 C--N 1.327 -0.398 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.324 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -55.13 147.63 53.15 Favored 'Trans proline' 0 N--CA 1.498 1.766 0 C-N-CA 121.714 1.609 . . . . 0.0 112.227 179.064 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -57.21 -32.32 66.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.396 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.5 tptt -53.01 -34.01 54.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.181 -179.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.3 t -61.59 -45.76 97.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.14 179.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 54.2 t -62.41 -39.79 85.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 121.007 0.432 . . . . 0.0 109.954 179.029 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.542 ' NH2' ' OD2' ' A' ' 49' ' ' ASP . 13.6 mmt180 -59.48 -42.04 91.16 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.318 -179.52 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.1 mmt-85 -68.43 -37.95 80.75 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.547 -0.461 . . . . 0.0 111.358 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 62.8 mtt -62.68 -36.77 83.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.208 0.527 . . . . 0.0 110.691 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 92.7 mt -70.28 -40.39 74.34 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.432 -0.803 . . . . 0.0 111.596 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -64.82 -45.88 84.31 Favored 'General case' 0 CA--C 1.519 -0.239 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -178.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.404 HG13 ' N ' ' A' ' 24' ' ' ALA . 39.5 pt -67.5 -36.58 76.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.318 -178.591 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.404 ' N ' HG13 ' A' ' 23' ' ' ILE . . . -66.84 -13.49 61.65 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.137 0.494 . . . . 0.0 110.105 -179.538 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 68.56 46.49 0.99 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.573 0.701 . . . . 0.0 110.533 179.724 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.422 HG22 HG11 ' A' ' 98' ' ' VAL . 84.5 t -76.2 112.52 14.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.315 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.424 ' H ' ' HB2' ' A' ' 30' ' ' ASP . 90.7 p -111.52 165.49 11.95 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.476 179.486 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.2 pt20 -58.35 -17.8 22.73 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.85 -179.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -97.34 -2.23 42.88 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 120.651 -0.42 . . . . 0.0 111.429 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.424 ' HB2' ' H ' ' A' ' 27' ' ' SER . 97.4 m-20 -106.04 140.68 38.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.858 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.586 HD11 ' HA ' ' A' ' 96' ' ' ALA . 1.3 pp -91.65 155.65 3.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.336 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.433 ' N ' HD12 ' A' ' 31' ' ' ILE . 99.2 t -121.14 119.79 60.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.001 179.73 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.472 ' CD1' HD13 ' A' ' 31' ' ' ILE . 1.9 m-30 -117.32 112.04 20.2 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.449 -0.796 . . . . 0.0 108.946 178.402 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.558 ' HB1' HD13 ' A' ' 42' ' ' ILE . . . -128.41 143.6 51.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.711 -179.447 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.461 HD12 ' H ' ' A' ' 35' ' ' LEU . 0.7 OUTLIER -110.67 4.83 20.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.985 -179.801 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.437 ' O ' ' O ' ' A' ' 37' ' ' CYS . . . -99.47 9.48 60.79 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.387 -0.685 . . . . 0.0 111.387 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.437 ' O ' ' O ' ' A' ' 36' ' ' GLY . 0.6 OUTLIER -46.13 -97.39 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.608 -179.581 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.55 12.37 80.35 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.167 -1.173 . . . . 0.0 110.167 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.542 ' OD1' ' ND2' ' A' ' 71' ' ' ASN . 31.9 t70 -175.79 -25.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.98 0.419 . . . . 0.0 110.056 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.09 -5.2 83.18 Favored Glycine 0 C--O 1.217 -0.933 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 179.436 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -58.17 -38.19 76.19 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 120.489 -0.485 . . . . 0.0 110.355 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.622 HG23 HG23 ' A' ' 43' ' ' ILE . 18.5 tt -60.26 -44.54 95.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.399 -179.147 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.622 HG23 HG23 ' A' ' 42' ' ' ILE . 39.4 pt -87.82 -31.41 5.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -179.116 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 67.9 mt -61.64 -41.15 89.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 99.8 m -64.47 -28.73 69.86 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.305 0.574 . . . . 0.0 109.716 179.174 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.728 ' HB1' HG11 ' A' ' 52' ' ' VAL . . . -68.93 -68.93 0.36 Allowed 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.029 179.377 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.414 ' HA ' HG22 ' A' ' 52' ' ' VAL . . . -58.54 -37.68 76.19 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.526 -178.416 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp -62.06 -46.61 88.37 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.646 -0.422 . . . . 0.0 111.472 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.542 ' OD2' ' NH2' ' A' ' 18' ' ' ARG . 49.4 t0 -109.47 -50.3 3.01 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 -178.593 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.551 ' N ' ' O ' ' A' ' 46' ' ' ALA . 43.4 m-85 -69.25 -10.13 56.33 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 120.419 -0.512 . . . . 0.0 111.474 -178.717 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 57.5 t30 52.47 33.43 13.2 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.293 179.102 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.728 HG11 ' HB1' ' A' ' 46' ' ' ALA . 10.8 m -44.73 163.26 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 CA-C-O 121.184 0.516 . . . . 0.0 110.947 -178.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.8 ttmt -74.27 -49.51 22.83 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.399 -0.819 . . . . 0.0 108.818 177.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.69 130.99 16.53 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.74 179.612 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.676 ' HB2' HG21 ' A' ' 52' ' ' VAL . . . -123.16 126.42 46.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.967 0.413 . . . . 0.0 109.955 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.6 t -132.43 135.17 58.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.394 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -108.8 129.93 9.78 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 109.792 -1.323 . . . . 0.0 109.792 178.387 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 84.8 t -104.14 121.74 56.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.06 0.457 . . . . 0.0 109.963 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -174.56 150.74 1.41 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.82 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.618 ' O ' HG23 ' A' ' 60' ' ' ILE . 20.4 tt -133.8 118.99 31.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 178.482 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -150.72 -174.41 4.77 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.562 ' O ' HG22 ' A' ' 65' ' ' ILE . 66.5 t0 -113.41 -68.35 0.93 Allowed 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.085 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -70.6 -38.92 74.05 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.851 0.357 . . . . 0.0 111.674 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -81.72 -7.34 59.59 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.755 -178.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.562 HG22 ' O ' ' A' ' 62' ' ' ASP . 13.1 tt -66.29 -36.88 78.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 120.064 -0.655 . . . . 0.0 111.0 -178.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.419 ' N ' ' CG2' ' A' ' 65' ' ' ILE . 8.1 ptm180 -82.92 -28.96 29.55 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.412 -179.173 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.08 -48.06 83.44 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.358 -0.537 . . . . 0.0 110.992 -179.049 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.26 -41.41 96.87 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 111.887 0.328 . . . . 0.0 111.887 -178.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.518 HD23 HD11 ' A' ' 83' ' ' ILE . 23.5 mt -60.64 -40.66 92.79 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.364 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.64 -38.66 91.14 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.662 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.542 ' ND2' ' OD1' ' A' ' 39' ' ' ASP . 89.0 m-20 -60.41 -44.07 96.1 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.455 -0.498 . . . . 0.0 111.269 -178.639 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.9 mp -54.79 -47.08 74.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.83 -178.38 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -64.42 -39.9 94.72 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.293 -0.563 . . . . 0.0 110.17 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -57.26 -40.99 78.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.515 -179.057 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -90.95 1.57 56.93 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.072 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 50.92 42.77 47.86 Favored Glycine 0 CA--C 1.527 0.794 0 C-N-CA 121.084 -0.579 . . . . 0.0 112.178 177.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.5 m -108.04 16.73 7.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 117.009 0.404 . . . . 0.0 111.267 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.0 p -48.04 159.97 0.16 Allowed 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 121.404 0.621 . . . . 0.0 111.324 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 80.51 -31.37 2.42 Favored Glycine 0 N--CA 1.446 -0.7 0 CA-C-N 114.841 -1.072 . . . . 0.0 111.001 179.111 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 40.5 mtt85 -103.88 -24.47 13.28 Favored 'General case' 0 CA--C 1.521 -0.163 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.306 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -123.24 135.45 54.27 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.569 -179.1 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 96.0 p -152.12 168.93 23.71 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.369 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.518 HD11 HD23 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -129.93 139.89 50.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.074 179.418 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 86.7 t -124.3 127.58 73.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.4 ptmm? -96.99 155.4 16.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.155 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 141.91 -162.71 27.07 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.584 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -105.6 139.43 40.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.171 0.51 . . . . 0.0 111.111 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -56.96 -45.89 82.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.873 -179.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 92.9 t80 -59.7 -47.59 85.02 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.211 0.529 . . . . 0.0 109.995 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -63.12 -40.78 98.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.08 -179.385 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -83.13 152.94 3.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.988 0.423 . . . . 0.0 111.288 -178.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -116.42 135.27 53.99 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.837 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 41.3 pt -116.92 19.7 6.89 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.186 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.949 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 48.1 t -57.26 -36.71 71.33 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 121.057 -0.257 . . . . 0.0 111.182 -179.138 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.409 ' OE2' ' OH ' ' A' ' 33' ' ' TYR . 20.8 pt-20 -65.19 -18.78 65.59 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.752 0.31 . . . . 0.0 111.716 -179.529 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.586 ' HA ' HD11 ' A' ' 31' ' ' ILE . . . -67.23 132.85 48.59 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.904 -179.346 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.835 HG23 HG23 ' A' ' 98' ' ' VAL . 8.4 t -99.45 -24.89 14.64 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 178.193 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.835 HG23 HG23 ' A' ' 97' ' ' THR . 90.2 t -133.29 131.67 58.07 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.333 179.376 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 29.3 m -140.49 156.03 23.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.632 178.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.494 HG23 ' HB ' ' A' ' 126' ' ' VAL . 84.8 m -148.72 145.97 27.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.609 179.704 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 24.8 mmt -110.37 138.49 46.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.525 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.513 ' CE2' ' O ' ' A' ' 103' ' ' LEU . 87.9 t80 -137.5 136.71 37.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.212 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.513 ' O ' ' CE2' ' A' ' 102' ' ' PHE . 96.1 mt -62.88 139.53 58.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.979 0.419 . . . . 0.0 110.829 -179.394 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 59.8 tp -171.42 -59.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.961 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 73.3 p -80.5 167.63 19.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.583 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -63.79 145.76 55.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.473 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.429 ' O ' HG13 ' A' ' 107' ' ' VAL . 10.7 p -44.98 131.54 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.787 -179.665 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -160.51 168.53 24.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.117 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -66.82 134.95 53.15 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.376 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 59.4 mtt -150.31 -49.09 0.13 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.043 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 7.8 mp -65.67 103.99 0.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.589 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -137.0 150.05 68.37 Favored Pre-proline 0 CA--C 1.535 0.379 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.642 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.52 -7.71 21.78 Favored 'Trans proline' 0 N--CA 1.495 1.598 0 C-N-CA 122.542 2.161 . . . . 0.0 111.414 179.097 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -57.3 -25.52 59.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.88 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 88.8 mt -59.03 -28.63 66.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.968 0.413 . . . . 0.0 110.005 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.52 ' OE2' ' CE1' ' A' ' 160' ' ' HIS . 99.1 mt-10 -64.35 -23.47 67.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.076 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -101.61 -29.16 12.1 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.8 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -80.48 -55.7 4.69 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.689 -0.404 . . . . 0.0 111.057 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.537 HD22 ' N ' ' A' ' 119' ' ' LEU . 3.9 mm? -75.59 145.9 40.81 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 179.475 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -80.96 149.54 67.06 Favored Pre-proline 0 C--N 1.328 -0.358 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 178.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_exo -53.34 136.84 63.88 Favored 'Trans proline' 0 N--CA 1.496 1.635 0 C-N-CA 121.307 1.338 . . . . 0.0 112.111 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 95.63 5.31 60.18 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' THR . . . . . 0.444 HG21 HD12 ' A' ' 119' ' ' LEU . 1.2 m -78.73 146.85 33.66 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 178.8 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -100.46 131.11 46.56 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.099 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 58.1 t -123.94 130.03 74.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.06 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.494 ' HB ' HG23 ' A' ' 100' ' ' THR . 59.5 t -119.5 124.32 72.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 CA-C-O 120.765 0.316 . . . . 0.0 111.303 -179.404 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 70.1 m -99.13 153.28 19.03 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.914 0.388 . . . . 0.0 110.593 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -102.41 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.12 -179.242 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -111.25 -18.06 13.03 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.784 0.326 . . . . 0.0 110.991 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -91.02 126.84 36.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.807 -179.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -77.97 160.71 28.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.352 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.496 HD12 ' CD1' ' A' ' 155' ' ' TYR . 81.9 mt -90.73 121.09 40.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.459 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -78.22 140.1 38.92 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 92.77 -22.74 32.1 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.189 -0.765 . . . . 0.0 111.189 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 14.2 m0 -96.87 -177.56 3.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.149 0.5 . . . . 0.0 111.102 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -133.71 110.0 12.18 Favored Pre-proline 0 CA--C 1.536 0.41 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.225 178.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -72.23 145.76 44.41 Favored 'Trans proline' 0 N--CA 1.491 1.375 0 C-N-CA 121.249 1.299 . . . . 0.0 112.374 -178.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 18.4 tptm -84.46 -49.01 9.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.413 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -131.77 128.31 38.55 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.711 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 69.5 t -129.1 123.38 58.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.269 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 25.8 pt -141.67 164.02 19.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 C-N-CA 120.471 -0.492 . . . . 0.0 111.295 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 10.1 mtmm -120.76 152.55 38.17 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.243 -0.889 . . . . 0.0 111.672 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 63.5 t -126.98 130.26 71.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 CA-C-N 115.124 -0.943 . . . . 0.0 109.388 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -114.17 119.11 35.95 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.161 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -138.52 100.05 3.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.739 0.304 . . . . 0.0 110.569 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 95.57 -118.53 5.94 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -118.02 17.13 14.16 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.736 0.303 . . . . 0.0 110.576 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 63.5 mtt -139.76 157.34 45.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.126 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 52.8 p30 -127.46 163.59 23.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.206 0.527 . . . . 0.0 110.775 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -137.53 148.05 45.66 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.195 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 63.1 m -123.3 140.32 53.14 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.476 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 75.3 t -129.18 132.2 67.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.729 0.299 . . . . 0.0 110.814 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -110.12 132.79 53.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.083 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 70.3 tp -111.27 133.22 53.76 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 155' ' ' TYR . . . . . 0.496 ' CD1' HD12 ' A' ' 132' ' ' ILE . 81.5 m-85 -128.54 165.89 19.87 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 58.4 t -130.33 124.42 57.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.403 178.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 157' ' ' ILE . . . . . . . . . . . . . 50.7 mm -68.78 134.1 30.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.707 -179.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 114.41 -41.04 2.28 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.053 -1.219 . . . . 0.0 110.053 -179.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 16.6 tm-20 -128.65 125.64 38.51 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 179.176 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 160' ' ' HIS . . . . . 0.52 ' CE1' ' OE2' ' A' ' 116' ' ' GLU . 0.3 OUTLIER -164.47 -84.9 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.222 -179.666 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -61.78 135.2 57.5 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.645 -179.665 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ttt . . . . . 0 N--CA 1.489 1.525 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.4 m -126.15 147.03 49.72 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.447 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -129.15 142.9 50.74 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.556 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.625 ' O ' HG23 ' A' ' 4' ' ' VAL . 33.2 m -130.87 67.34 80.6 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.398 179.747 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.836 ' O ' HG13 ' A' ' 7' ' ' VAL . 50.2 Cg_endo -74.6 -62.26 0.04 OUTLIER 'Trans proline' 0 C--N 1.308 -1.57 0 C-N-CA 122.441 2.094 . . . . 0.0 112.452 -179.714 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 73.9 t60 46.98 33.41 2.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.448 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.836 HG13 ' O ' ' A' ' 5' ' ' PRO . 34.7 m -129.7 77.64 76.64 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.646 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -54.28 141.92 69.7 Favored 'Trans proline' 0 N--CA 1.496 1.65 0 C-N-CA 122.716 2.277 . . . . 0.0 112.152 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -115.19 129.45 56.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.771 -179.391 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.668 ' O ' HG23 ' A' ' 10' ' ' VAL . 29.5 m -110.59 112.91 56.21 Favored Pre-proline 0 CA--C 1.537 0.477 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.087 179.585 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -73.13 -46.17 0.4 Allowed 'Trans proline' 0 N--CA 1.491 1.377 0 C-N-CA 121.3 1.333 . . . . 0.0 112.899 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.548 HG21 ' NE2' ' A' ' 150' ' ' HIS . 44.2 p -46.33 110.51 1.23 Allowed Pre-proline 0 CA--C 1.536 0.409 0 N-CA-C 111.777 0.288 . . . . 0.0 111.777 -178.779 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -55.32 174.74 0.22 Allowed 'Trans proline' 0 N--CA 1.493 1.46 0 C-N-CA 121.931 1.754 . . . . 0.0 111.757 178.304 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.2 pm0 -62.3 -13.12 25.3 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.9 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -46.09 -20.8 0.11 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.902 -179.222 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.5 t -60.64 -44.25 96.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.378 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.5 p -67.25 -31.47 53.2 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.493 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.4 mmt85 -61.73 -41.18 97.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.312 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.1 mmt180 -67.16 -38.68 85.88 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.594 -0.442 . . . . 0.0 111.349 179.422 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 62.6 mtt -62.21 -36.73 82.86 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.3 0.571 . . . . 0.0 110.614 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.776 ' O ' HG12 ' A' ' 26' ' ' VAL . 89.5 mt -70.37 -40.92 73.72 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.379 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -64.93 -44.88 88.03 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -179.223 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 33.5 pt -66.97 -35.31 74.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.845 -178.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.01 -11.76 61.08 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.28 0.562 . . . . 0.0 109.584 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.0 tptm 64.26 30.23 13.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.897 179.523 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.776 HG12 ' O ' ' A' ' 21' ' ' LEU . 4.0 p -62.5 120.77 9.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.371 0.605 . . . . 0.0 110.541 -179.584 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.46 ' H ' ' HB3' ' A' ' 30' ' ' ASP . 92.2 p -114.66 171.68 7.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.006 179.645 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.2 pt20 -60.09 -17.43 39.67 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.371 -179.446 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -98.31 2.37 48.02 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 120.856 -0.338 . . . . 0.0 111.549 -179.621 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.746 ' OD2' HG23 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -108.26 137.46 46.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.847 0.356 . . . . 0.0 111.617 -179.483 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.565 HD11 ' HA ' ' A' ' 96' ' ' ALA . 1.2 pp -90.27 154.83 3.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.025 179.378 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.476 ' N ' HD12 ' A' ' 31' ' ' ILE . 92.8 t -120.96 118.23 55.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.321 0.581 . . . . 0.0 112.423 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.432 ' CD1' HD13 ' A' ' 31' ' ' ILE . 2.1 m-30 -113.25 104.91 12.81 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.241 -0.89 . . . . 0.0 108.7 177.805 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.633 ' HB1' HD13 ' A' ' 42' ' ' ILE . . . -123.19 142.53 50.8 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.914 0.388 . . . . 0.0 111.02 -179.078 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.4 mp -108.45 4.05 23.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.437 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.46 ' O ' ' O ' ' A' ' 37' ' ' CYS . . . -94.85 11.63 69.48 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.391 -0.684 . . . . 0.0 111.391 -179.719 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.591 ' SG ' ' N ' ' A' ' 40' ' ' GLY . 19.9 t -42.55 -98.91 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.638 0.256 . . . . 0.0 111.171 -179.496 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.51 ' N ' ' SG ' ' A' ' 37' ' ' CYS . . . 75.03 8.13 82.64 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.483 ' OD2' ' NH1' ' A' ' 64' ' ' ARG . 1.2 m-20 174.28 -19.33 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.579 0.228 . . . . 0.0 110.701 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.591 ' N ' ' SG ' ' A' ' 37' ' ' CYS . . . 91.71 -3.27 78.0 Favored Glycine 0 C--O 1.219 -0.792 0 C-N-CA 121.041 -0.6 . . . . 0.0 111.613 179.467 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -60.8 -26.64 67.44 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.234 -0.586 . . . . 0.0 110.69 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.633 HD13 ' HB1' ' A' ' 34' ' ' ALA . 17.4 tt -70.6 -43.91 77.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.339 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.631 HG23 HG23 ' A' ' 42' ' ' ILE . 33.4 pt -89.49 -30.28 5.16 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -179.097 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 69.8 mt -62.01 -41.58 91.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 111.801 0.296 . . . . 0.0 111.801 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 95.0 m -65.35 -25.14 67.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.12 0.486 . . . . 0.0 110.16 179.608 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.723 ' HB1' HG11 ' A' ' 52' ' ' VAL . . . -73.09 -67.1 0.6 Allowed 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.894 179.099 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.414 ' HA ' HG22 ' A' ' 52' ' ' VAL . . . -59.53 -38.65 81.55 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.588 -178.756 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -63.07 -46.31 88.07 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.803 -0.359 . . . . 0.0 111.421 -179.658 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -105.82 -52.36 2.83 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 112.705 0.632 . . . . 0.0 112.705 -178.3 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.548 ' N ' ' O ' ' A' ' 46' ' ' ALA . 52.4 m-85 -72.45 -6.69 45.39 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -178.413 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 49.64 34.28 7.03 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.726 -0.39 . . . . 0.0 111.431 178.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.723 HG11 ' HB1' ' A' ' 46' ' ' ALA . 12.7 m -45.3 164.64 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.514 0 CA-C-O 121.332 0.587 . . . . 0.0 111.279 -178.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -72.07 -50.71 26.1 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.217 -0.901 . . . . 0.0 109.341 178.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.42 ' HZ2' ' CG2' ' A' ' 56' ' ' VAL . 13.3 ttpp -151.54 127.54 10.39 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.592 ' HB2' HG21 ' A' ' 52' ' ' VAL . . . -117.29 129.39 55.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.105 0.479 . . . . 0.0 110.211 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.42 ' CG2' ' HZ2' ' A' ' 54' ' ' LYS . 79.2 t -132.33 133.83 59.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.222 -179.462 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -108.97 137.41 14.16 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.045 -1.222 . . . . 0.0 110.045 178.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 92.7 t -115.51 129.05 72.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.852 0.358 . . . . 0.0 110.356 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 174.26 159.86 0.17 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.483 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.561 ' O ' HG23 ' A' ' 60' ' ' ILE . 20.6 tt -135.02 122.15 36.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.422 ' OD1' ' O ' ' A' ' 60' ' ' ILE . 82.9 m-20 -148.11 177.54 9.3 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 -179.721 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.551 ' O ' HG22 ' A' ' 65' ' ' ILE . 4.0 m-20 -109.12 -70.6 0.8 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.757 0.313 . . . . 0.0 110.945 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -70.43 -38.28 74.53 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.508 -179.648 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.507 ' NH1' ' O ' ' A' ' 38' ' ' GLY . 78.6 mtp85 -79.65 -7.74 58.76 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.665 -178.588 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.551 HG22 ' O ' ' A' ' 62' ' ' ASP . 12.6 tt -64.53 -37.94 81.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.257 -0.577 . . . . 0.0 111.138 -179.032 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.443 ' N ' ' CG2' ' A' ' 65' ' ' ILE . 8.1 ptm180 -81.82 -28.04 33.33 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.084 -179.308 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.07 -48.64 80.76 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 120.379 -0.528 . . . . 0.0 110.873 -179.334 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.95 -41.66 96.76 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 -178.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.453 HD23 HD11 ' A' ' 83' ' ' ILE . 30.2 mt -59.94 -42.41 93.97 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.304 -0.558 . . . . 0.0 109.918 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.02 -38.43 91.06 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.729 179.185 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -63.11 -24.8 68.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.091 -178.447 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.5 mp -73.48 -48.17 42.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 178.501 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.28 -38.64 91.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.225 179.41 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -56.27 -40.05 73.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.306 -179.007 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -94.1 4.0 54.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.206 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 49.83 43.95 39.45 Favored Glycine 0 CA--C 1.526 0.776 0 C-N-CA 121.142 -0.552 . . . . 0.0 112.249 178.014 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 5.6 m -109.02 16.16 7.73 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.389 0 CA-C-N 116.974 0.387 . . . . 0.0 111.635 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.5 p -48.93 160.74 0.17 Allowed 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 121.751 0.786 . . . . 0.0 111.257 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 76.98 -12.58 11.08 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 114.382 -1.281 . . . . 0.0 111.028 178.416 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.405 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 64.0 mtt180 -121.61 -24.87 5.22 Favored 'General case' 0 CA--C 1.522 -0.11 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 179.452 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -122.85 134.66 54.38 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.303 -179.626 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 91.1 p -149.14 166.97 27.21 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.273 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.453 HD11 HD23 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -130.0 140.15 49.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.157 179.649 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 86.4 t -125.32 128.92 73.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.81 -179.679 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 17.6 ptmt -103.73 158.39 16.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.463 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 132.89 -159.27 23.45 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.658 -0.977 . . . . 0.0 110.658 -179.591 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -95.97 126.9 41.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.924 0.393 . . . . 0.0 110.637 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.447 ' CZ ' ' SD ' ' A' ' 110' ' ' MET . 39.4 p90 -50.69 -30.01 12.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.71 -179.204 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -61.05 -48.61 80.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.248 0.547 . . . . 0.0 109.801 179.192 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -63.28 -39.5 94.76 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.369 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 90.1 t -71.11 129.78 34.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.66 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.443 ' OD1' ' O ' ' A' ' 92' ' ' ASP . 52.7 p-10 -102.61 137.85 40.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.518 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 47.4 pt -118.68 10.93 6.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.25 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 75.8 m -56.94 -35.49 69.14 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.823 -178.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.4 ' OE2' ' OH ' ' A' ' 33' ' ' TYR . 17.0 pt-20 -69.57 -18.19 63.61 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.744 -179.751 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.565 ' HA ' HD11 ' A' ' 31' ' ' ILE . . . -68.33 132.5 47.19 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -178.651 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.53 HG23 ' OD1' ' A' ' 30' ' ' ASP . 12.0 t -100.36 -23.29 14.8 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 178.619 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.435 HG23 HG23 ' A' ' 97' ' ' THR . 55.7 t -134.74 131.25 53.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.065 178.801 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 92.9 t -133.0 140.44 47.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.087 0.47 . . . . 0.0 111.072 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 72.4 p -135.78 154.0 51.36 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.63 179.261 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 63.3 tpp -134.08 126.47 30.16 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.36 179.414 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -152.03 87.83 1.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.427 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.531 ' O ' ' ND2' ' A' ' 106' ' ' ASN . 60.3 tp -150.8 135.89 17.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.968 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 91.5 mt -70.91 141.88 51.14 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.385 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 2.7 m 65.1 64.75 0.61 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.052 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.531 ' ND2' ' O ' ' A' ' 103' ' ' LEU . 98.5 m-20 -105.37 133.18 50.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.577 179.696 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.548 HG23 ' H ' ' A' ' 109' ' ' GLU . 34.0 m -71.08 -31.95 46.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.961 0.41 . . . . 0.0 110.231 179.627 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.422 ' OD1' ' CG ' ' A' ' 130' ' ' PHE . 27.7 m120 56.37 36.65 27.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.044 179.709 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.548 ' H ' HG23 ' A' ' 107' ' ' VAL . 98.1 mt-10 -113.63 -25.35 8.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.453 179.293 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.447 ' SD ' ' CZ ' ' A' ' 88' ' ' PHE . 38.9 mmt -77.27 27.36 0.15 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.388 -178.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.406 HD12 ' C ' ' A' ' 110' ' ' MET . 7.2 mp -121.94 66.47 0.91 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.787 -0.819 . . . . 0.0 108.787 178.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.521 ' C ' ' H ' ' A' ' 114' ' ' LYS . 53.1 mtpt -71.19 153.36 94.35 Favored Pre-proline 0 CA--C 1.537 0.444 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.478 -178.543 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -46.98 -6.45 0.03 OUTLIER 'Trans proline' 0 N--CA 1.497 1.696 0 C-N-CA 122.488 2.125 . . . . 0.0 112.681 178.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.521 ' H ' ' C ' ' A' ' 112' ' ' LYS . 63.3 mttp -58.17 -16.09 12.21 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 121.051 -0.259 . . . . 0.0 110.452 -179.545 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 95.8 mt -60.01 -36.4 77.15 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.559 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -63.82 -21.37 66.4 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.722 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 70.9 mttt -99.17 -39.95 8.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.134 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -73.82 -53.1 11.0 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.843 -179.679 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.847 HD23 HG21 ' A' ' 123' ' ' THR . 8.2 mp -82.96 130.78 35.18 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -71.07 150.71 94.84 Favored Pre-proline 0 C--N 1.327 -0.375 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.548 -179.341 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -52.5 138.3 57.32 Favored 'Trans proline' 0 N--CA 1.496 1.658 0 C-N-CA 121.596 1.531 . . . . 0.0 112.075 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 99.05 -2.35 58.03 Favored Glycine 0 CA--C 1.52 0.386 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' THR . . . . . 0.847 HG21 HD23 ' A' ' 119' ' ' LEU . 1.7 m -72.0 145.09 48.57 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 178.782 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -103.6 131.32 50.85 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.413 ' HB ' ' CE1' ' A' ' 155' ' ' TYR . 30.2 t -129.5 137.37 57.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.853 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 91.3 t -126.6 128.44 71.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -179.001 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 26.9 t -100.31 149.51 23.54 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.289 178.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' HIS . . . . . 0.465 ' CG ' ' N ' ' A' ' 129' ' ' GLU . 18.7 t-160 -56.77 -98.55 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.521 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.465 ' N ' ' CG ' ' A' ' 128' ' ' HIS . 24.5 pt-20 -113.37 -16.91 12.39 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.387 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.422 ' CG ' ' OD1' ' A' ' 108' ' ' ASN . 92.4 m-85 -89.06 131.94 35.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.966 0.412 . . . . 0.0 111.298 -179.012 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -85.78 161.03 19.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.518 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.64 HD11 ' CZ ' ' A' ' 155' ' ' TYR . 79.1 mt -95.11 119.47 43.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.58 -179.587 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -72.84 139.99 47.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.877 179.224 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 90.46 -23.18 23.42 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 14.6 m0 -104.2 152.11 22.55 Favored 'General case' 0 C--O 1.231 0.101 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -112.0 101.73 52.29 Favored Pre-proline 0 CA--C 1.536 0.419 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.695 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -56.37 150.44 50.35 Favored 'Trans proline' 0 N--CA 1.496 1.632 0 C-N-CA 122.151 1.9 . . . . 0.0 112.242 179.557 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -87.11 -48.7 7.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.516 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -124.73 127.08 46.7 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.58 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 63.6 t -130.04 124.07 57.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.382 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 28.6 pt -141.45 163.05 20.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 120.55 -0.46 . . . . 0.0 111.241 179.453 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 21.8 mtmt -122.95 149.76 43.85 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.788 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 61.9 t -124.03 129.04 74.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.03 -0.986 . . . . 0.0 109.499 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -113.69 127.23 55.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.973 0.416 . . . . 0.0 110.685 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.514 ' HB3' HG22 ' A' ' 12' ' ' THR . 67.5 t0 -145.34 100.61 3.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.761 -179.501 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 93.82 -113.8 4.6 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 32.4 p-10 -121.39 14.98 11.25 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.913 0.387 . . . . 0.0 110.879 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 75.1 mtm -140.78 157.39 45.48 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.175 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 50.6 p30 -130.21 168.56 16.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.28 0.562 . . . . 0.0 110.808 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' HIS . . . . . 0.548 ' NE2' HG21 ' A' ' 12' ' ' THR . 95.5 m-70 -139.14 150.05 45.18 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.333 -179.558 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.435 ' O ' ' O ' ' A' ' 128' ' ' HIS . 63.7 m -123.56 139.3 54.15 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.642 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 58.7 t -125.89 131.19 72.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.785 0.326 . . . . 0.0 110.174 -179.58 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -109.76 130.04 55.56 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.967 -179.423 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 46.7 tp -116.2 122.76 45.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.405 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 155' ' ' TYR . . . . . 0.64 ' CZ ' HD11 ' A' ' 132' ' ' ILE . 0.3 OUTLIER -134.41 132.56 39.53 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.111 0.481 . . . . 0.0 110.711 179.756 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 86.2 t -96.41 133.68 36.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.406 -179.002 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 157' ' ' ILE . . . . . . . . . . . . . 45.9 mm -69.35 145.56 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.513 179.497 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 125.84 -32.71 3.76 Favored Glycine 0 CA--C 1.518 0.274 0 N-CA-C 109.352 -1.499 . . . . 0.0 109.352 -179.327 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -141.52 99.11 3.49 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 178.077 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 26.1 p-80 -68.36 -27.81 66.57 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.514 -0.474 . . . . 0.0 111.173 -178.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 59.9 mtpt -117.16 148.86 41.21 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 179.088 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.408 0 CA-C-O 117.885 -1.055 . . . . 0.0 110.456 179.986 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.9 ptt? . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.8 m 56.11 45.8 22.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.836 0.35 . . . . 0.0 110.493 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -71.3 147.74 47.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.544 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.449 ' N ' ' CD ' ' A' ' 5' ' ' PRO . 7.0 t 53.5 54.04 11.88 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.516 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.449 ' CD ' ' N ' ' A' ' 4' ' ' VAL . 46.3 Cg_endo -67.88 -19.79 46.08 Favored 'Trans proline' 0 C--N 1.307 -1.621 0 C-N-CA 122.827 2.351 . . . . 0.0 112.132 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 46.9 t-80 57.63 53.17 7.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.946 179.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.9 m -70.88 148.52 94.7 Favored Pre-proline 0 CA--C 1.534 0.339 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.336 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -71.17 150.19 59.2 Favored 'Trans proline' 0 N--CA 1.495 1.605 0 C-N-CA 122.32 2.013 . . . . 0.0 112.184 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -128.27 125.13 38.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.191 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.4 t -112.7 108.14 54.18 Favored Pre-proline 0 CA--C 1.537 0.463 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.011 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -74.52 148.05 37.08 Favored 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 121.524 1.483 . . . . 0.0 111.701 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 44.4 p -73.75 158.45 86.11 Favored Pre-proline 0 CA--C 1.535 0.394 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.243 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -58.77 148.61 82.41 Favored 'Trans proline' 0 N--CA 1.498 1.786 0 C-N-CA 121.612 1.542 . . . . 0.0 111.77 179.116 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -59.54 -22.47 61.74 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -60.77 -40.96 94.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.837 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 56.1 t -61.94 -45.3 99.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.757 179.218 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 54.9 t -63.29 -39.77 86.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.102 178.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.6 mmm-85 -59.46 -41.44 89.7 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.381 -179.358 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -68.56 -39.67 80.94 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 75.7 mtm -63.38 -32.76 74.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.804 0.335 . . . . 0.0 111.146 -179.135 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.0 mp -74.71 -41.44 60.2 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.492 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -63.34 -44.77 93.92 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -178.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 40.7 pt -66.9 -35.45 74.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.022 0.439 . . . . 0.0 110.87 -178.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.28 -8.73 48.69 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.454 -179.325 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp 64.21 47.88 3.08 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.031 -179.491 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.438 HG13 ' OD1' ' A' ' 30' ' ' ASP . 76.2 t -77.76 115.57 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.994 179.69 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.55 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 70.3 m -114.46 163.82 14.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.918 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -57.68 -18.24 19.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.074 -179.275 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -98.2 0.38 45.73 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.864 -0.334 . . . . 0.0 111.43 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.55 ' OD1' ' N ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -109.7 143.28 39.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.66 -0.245 . . . . 0.0 110.717 -179.713 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.502 HD11 ' HA ' ' A' ' 96' ' ' ALA . 1.3 pp -91.4 156.42 3.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.549 179.773 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.405 ' N ' HD12 ' A' ' 31' ' ' ILE . 97.3 t -123.3 119.3 57.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.037 179.505 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.536 ' CD2' ' HB2' ' A' ' 96' ' ' ALA . 2.6 m-30 -115.6 109.18 17.4 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.047 178.773 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.553 ' HB1' HD13 ' A' ' 42' ' ' ILE . . . -123.4 140.86 52.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.844 0.354 . . . . 0.0 111.221 -179.191 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.424 HD12 ' H ' ' A' ' 35' ' ' LEU . 1.5 mp -106.26 1.3 25.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.308 179.599 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.474 ' O ' ' O ' ' A' ' 37' ' ' CYS . . . -95.25 16.14 61.89 Favored Glycine 0 CA--C 1.526 0.725 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.642 -179.45 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.592 ' SG ' ' N ' ' A' ' 38' ' ' GLY . 23.8 t -48.06 -104.03 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.728 0.264 . . . . 0.0 110.984 -179.494 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.592 ' N ' ' SG ' ' A' ' 37' ' ' CYS . . . 76.91 5.84 84.94 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.604 -0.998 . . . . 0.0 110.604 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.458 ' OD2' ' NE ' ' A' ' 41' ' ' ARG . 57.0 t0 -175.16 -22.12 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.868 0.366 . . . . 0.0 110.453 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.586 ' N ' ' SG ' ' A' ' 37' ' ' CYS . . . 86.22 -0.95 87.55 Favored Glycine 0 C--O 1.218 -0.875 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.458 ' NE ' ' OD2' ' A' ' 39' ' ' ASP . 95.3 mtt-85 -63.18 -26.15 68.67 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 122.276 -0.543 . . . . 0.0 110.261 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.627 HG23 HG23 ' A' ' 43' ' ' ILE . 17.5 tt -71.31 -43.12 74.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.593 -0.731 . . . . 0.0 111.33 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.627 HG23 HG23 ' A' ' 42' ' ' ILE . 34.1 pt -90.12 -30.8 5.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -179.391 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.499 HD13 ' OD1' ' A' ' 71' ' ' ASN . 69.0 mt -62.05 -41.05 89.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 111.568 0.21 . . . . 0.0 111.568 179.738 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 69.9 m -66.05 -23.88 66.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.088 0.47 . . . . 0.0 110.16 179.417 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.726 ' HB1' HG11 ' A' ' 52' ' ' VAL . . . -74.58 -66.46 0.74 Allowed 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.974 179.351 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.422 ' HA ' HG22 ' A' ' 52' ' ' VAL . . . -59.45 -37.72 78.88 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.525 -179.092 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -63.4 -46.63 85.54 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.736 -0.386 . . . . 0.0 111.371 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -106.98 -51.65 2.89 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -178.162 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.554 ' N ' ' O ' ' A' ' 46' ' ' ALA . 35.0 m-85 -71.86 -6.99 45.71 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.848 -178.331 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 58.9 t30 50.09 34.03 7.79 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.744 -0.382 . . . . 0.0 111.234 178.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.726 HG11 ' HB1' ' A' ' 46' ' ' ALA . 12.7 m -44.5 162.5 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 CA-C-O 121.266 0.555 . . . . 0.0 110.799 -179.003 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -73.23 -50.21 23.64 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.277 -0.874 . . . . 0.0 108.969 178.142 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.414 ' HZ1' HG21 ' A' ' 56' ' ' VAL . 12.9 ttpp -148.11 126.52 12.35 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.133 -0.94 . . . . 0.0 109.573 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.693 ' HB2' HG21 ' A' ' 52' ' ' VAL . . . -118.28 127.19 53.48 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.946 0.403 . . . . 0.0 110.321 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.414 HG21 ' HZ1' ' A' ' 54' ' ' LYS . 77.3 t -132.64 134.8 58.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.308 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -109.52 134.39 12.2 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.007 -1.237 . . . . 0.0 110.007 178.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 96.8 t -110.22 126.84 67.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 176.1 156.0 0.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.374 -179.704 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.576 ' O ' HG23 ' A' ' 60' ' ' ILE . 20.3 tt -135.07 121.65 34.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 179.019 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.418 ' OD1' ' O ' ' A' ' 60' ' ' ILE . 82.0 m-20 -149.28 -176.25 5.3 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.546 ' O ' HG22 ' A' ' 65' ' ' ILE . 65.7 m-20 -114.71 -69.37 0.86 Allowed 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.861 -0.335 . . . . 0.0 110.915 179.662 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -71.41 -38.79 71.41 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.905 0.384 . . . . 0.0 111.499 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 46.7 mmm-85 -80.93 -8.02 59.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.375 -178.447 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.546 HG22 ' O ' ' A' ' 62' ' ' ASP . 9.5 tt -69.52 -34.61 62.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 C-N-CA 120.134 -0.626 . . . . 0.0 111.037 -178.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -80.14 -29.13 38.81 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.469 -179.185 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -61.71 -46.21 90.63 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.254 -0.579 . . . . 0.0 110.948 -179.041 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.05 -42.35 98.31 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.935 -0.306 . . . . 0.0 111.712 -178.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 28.8 mt -61.67 -42.74 99.33 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.249 -0.581 . . . . 0.0 110.056 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.41 -38.9 91.33 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.352 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.534 ' OD1' ' ND2' ' A' ' 75' ' ' ASN . 57.0 t-20 -59.67 -45.79 91.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.978 -178.558 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.5 mp -55.55 -45.92 78.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.499 -0.481 . . . . 0.0 110.765 -179.302 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.37 -40.62 97.76 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.174 -0.61 . . . . 0.0 109.96 179.601 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -57.33 -39.69 76.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.139 -179.314 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.534 ' ND2' ' OD1' ' A' ' 71' ' ' ASN . 65.1 m-80 -90.59 2.64 55.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.372 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 49.52 40.94 32.64 Favored Glycine 0 CA--C 1.526 0.725 0 C-N-CA 120.979 -0.629 . . . . 0.0 111.708 178.169 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 5.3 m -107.57 16.33 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.441 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.4 p -49.01 162.0 0.13 Allowed 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.605 0.717 . . . . 0.0 111.108 -179.658 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 78.49 -23.66 2.83 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 114.646 -1.161 . . . . 0.0 111.206 178.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.481 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 40.7 mtt85 -110.45 -26.27 9.6 Favored 'General case' 0 C--O 1.232 0.159 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -116.87 129.42 56.06 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.215 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 57.3 m -142.49 161.59 37.66 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.434 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.33 137.93 56.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.087 179.005 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 89.3 t -125.99 129.59 72.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.009 -179.439 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -98.39 154.29 17.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.727 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 135.0 -163.98 24.78 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 110.558 -1.017 . . . . 0.0 110.558 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -96.04 127.01 41.68 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.274 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 37.2 p90 -51.3 -29.12 13.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.728 -179.248 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -61.14 -48.7 80.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.279 0.562 . . . . 0.0 109.894 179.143 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.66 -39.34 94.1 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.685 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 84.1 t -69.18 130.78 34.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.883 -179.395 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.411 ' O ' ' OE2' ' A' ' 95' ' ' GLU . 97.6 m-20 -92.82 130.79 38.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.887 179.56 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -115.32 6.4 7.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.171 -179.443 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.466 ' CB ' ' O ' ' A' ' 118' ' ' GLU . 93.6 p -61.38 -26.11 67.62 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.388 -178.592 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.411 ' OE2' ' O ' ' A' ' 92' ' ' ASP . 22.7 pm0 -74.17 -22.26 59.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.922 0.391 . . . . 0.0 111.312 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.536 ' HB2' ' CD2' ' A' ' 33' ' ' TYR . . . -73.68 140.82 46.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.636 -178.24 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.591 HG23 HG23 ' A' ' 98' ' ' VAL . 15.2 t -99.05 -27.25 13.93 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.118 178.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.591 HG23 HG23 ' A' ' 97' ' ' THR . 53.5 t -129.02 130.27 68.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.572 179.526 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 57.8 t -138.71 150.08 23.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.104 0.478 . . . . 0.0 111.397 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 70.3 p -127.93 160.01 33.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.747 179.307 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 14.3 tpt -125.02 137.93 54.22 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.775 0.321 . . . . 0.0 110.445 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.417 ' CD2' ' O ' ' A' ' 103' ' ' LEU . 88.4 t80 -127.12 148.86 50.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.663 -179.54 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.417 ' O ' ' CD2' ' A' ' 102' ' ' PHE . 78.5 mt -49.07 140.38 9.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.091 0.472 . . . . 0.0 110.847 -179.494 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 84.3 mt -110.61 153.82 24.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.302 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 98.9 m -59.85 -43.54 94.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.313 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -67.34 146.3 54.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.579 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 29.7 m -99.17 10.51 6.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.483 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -67.3 158.62 31.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.788 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -55.13 170.54 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.498 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.561 ' O ' ' N ' ' A' ' 112' ' ' LYS . 66.5 mtt -133.49 -91.68 0.36 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.523 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 3.9 mp 59.0 -70.84 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.72 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.561 ' N ' ' O ' ' A' ' 110' ' ' MET . 72.2 mmtt 55.34 69.31 2.03 Favored Pre-proline 0 C--N 1.33 -0.241 0 C-N-CA 121.011 -0.275 . . . . 0.0 111.434 179.034 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.29 -17.12 35.36 Favored 'Trans proline' 0 N--CA 1.493 1.472 0 C-N-CA 122.108 1.872 . . . . 0.0 111.24 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -58.32 -12.83 4.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.41 -179.201 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 94.9 mt -60.1 -36.18 76.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.05 0.452 . . . . 0.0 109.859 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -62.55 -21.62 65.7 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.644 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -100.67 -38.43 8.32 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.603 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.466 ' O ' ' CB ' ' A' ' 94' ' ' SER . 77.5 mm-40 -73.07 -52.07 15.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.889 0.376 . . . . 0.0 110.69 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 85.0 mt -86.06 136.14 33.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.022 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.443 ' HD3' ' H ' ' A' ' 120' ' ' LYS . 0.8 OUTLIER -74.37 155.9 87.52 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.217 -179.21 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -57.6 139.06 89.02 Favored 'Trans proline' 0 N--CA 1.497 1.677 0 C-N-CA 121.498 1.465 . . . . 0.0 112.131 178.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 98.87 -5.44 59.74 Favored Glycine 0 CA--C 1.522 0.472 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.467 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 1.4 m -73.83 145.99 44.51 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -101.19 131.46 47.16 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.92 0.39 . . . . 0.0 111.2 -179.315 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 60.6 t -123.86 129.67 74.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.892 178.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 57.4 t -119.69 122.25 68.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.222 -178.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 57.7 p -82.73 167.49 18.12 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 178.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' HIS . . . . . 0.704 ' CD2' ' H ' ' A' ' 129' ' ' GLU . 5.6 p-80 -91.14 -97.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.639 -0.425 . . . . 0.0 110.321 179.136 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.704 ' H ' ' CD2' ' A' ' 128' ' ' HIS . 3.8 tt0 -98.29 -48.97 4.87 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.958 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.527 ' CE1' ' O ' ' A' ' 131' ' ' GLU . 0.0 OUTLIER -75.12 139.57 42.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.543 -178.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.527 ' O ' ' CE1' ' A' ' 130' ' ' PHE . 88.6 tt0 -88.04 143.54 27.02 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.12 179.569 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.552 HD12 ' CE1' ' A' ' 155' ' ' TYR . 76.1 mt -73.94 112.05 10.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 120.395 -0.522 . . . . 0.0 109.978 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -73.0 141.29 47.73 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 179.072 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 92.4 -22.39 32.96 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 9.7 m0 -102.73 144.97 30.4 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.952 0.406 . . . . 0.0 111.176 -179.677 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.539 ' O ' ' CE1' ' A' ' 160' ' ' HIS . 72.4 m-20 -97.59 116.86 65.85 Favored Pre-proline 0 C--N 1.324 -0.523 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 178.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -73.18 146.35 40.64 Favored 'Trans proline' 0 N--CA 1.495 1.565 0 C-N-CA 121.583 1.522 . . . . 0.0 112.557 -178.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -84.09 -50.07 8.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.572 179.139 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -136.81 139.61 41.87 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.908 179.399 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 1.6 p -150.83 134.73 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.895 0.379 . . . . 0.0 111.097 179.649 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 22.9 pt -141.23 167.0 17.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.668 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 8.6 mtmm -118.27 150.8 38.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.083 179.407 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 57.4 t -126.89 128.61 70.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.802 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -111.48 116.98 31.8 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.001 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -136.83 98.99 3.91 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.963 -0.295 . . . . 0.0 110.575 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 96.59 -120.07 6.53 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -115.57 16.04 16.57 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.77 0.319 . . . . 0.0 110.744 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 63.8 mtt -140.3 158.05 44.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.234 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 57.7 p30 -126.44 164.51 20.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.27 0.557 . . . . 0.0 110.83 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -137.16 148.52 46.66 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.996 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 61.8 m -125.76 140.97 52.24 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 88.4 t -129.65 135.73 60.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.711 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -112.96 132.13 55.47 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.777 179.383 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 61.4 tp -113.1 118.79 35.73 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.657 179.462 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 155' ' ' TYR . . . . . 0.552 ' CE1' HD12 ' A' ' 132' ' ' ILE . 96.5 m-85 -111.9 167.4 10.4 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 179.497 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 156' ' ' VAL . . . . . 0.478 ' O ' ' CD2' ' A' ' 160' ' ' HIS . 67.5 t -134.12 126.58 50.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.372 178.765 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 157' ' ' ILE . . . . . . . . . . . . . 44.0 mm -71.4 138.22 22.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.692 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 125.49 -33.63 3.56 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.679 -0.968 . . . . 0.0 110.679 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 159' ' ' GLU . . . . . 0.55 ' O ' ' CG ' ' A' ' 160' ' ' HIS . 88.4 tt0 -149.15 100.41 3.04 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-O 120.958 0.409 . . . . 0.0 110.124 178.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 160' ' ' HIS . . . . . 0.55 ' CG ' ' O ' ' A' ' 159' ' ' GLU . 3.1 m-70 -169.64 178.37 4.16 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.544 -179.623 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 161' ' ' LYS . . . . . 0.65 ' O ' ' HB2' ' A' ' 162' ' ' ALA . 16.0 ttmt 83.19 -16.88 0.54 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.243 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 162' ' ' ALA . . . . . 0.65 ' HB2' ' O ' ' A' ' 161' ' ' LYS . . . . . . . . 0 C--O 1.221 -0.416 0 CA-C-O 117.961 -1.018 . . . . 0.0 110.494 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.492 1.638 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.8 t -63.08 139.9 58.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.368 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -110.41 125.57 53.39 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.541 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.461 ' N ' ' HD2' ' A' ' 5' ' ' PRO . 0.6 OUTLIER -68.86 -44.45 30.3 Favored Pre-proline 0 CA--C 1.535 0.392 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.622 179.835 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.461 ' HD2' ' N ' ' A' ' 4' ' ' VAL . 72.1 Cg_endo -75.28 155.22 41.61 Favored 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 121.61 1.54 . . . . 0.0 112.251 -179.622 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -141.08 70.97 1.35 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.955 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.642 ' N ' ' CD ' ' A' ' 8' ' ' PRO . 0.7 OUTLIER -65.45 -39.33 33.02 Favored Pre-proline 0 C--N 1.328 -0.345 0 C-N-CA 120.671 -0.412 . . . . 0.0 111.218 179.611 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 7' ' ' VAL . 46.6 Cg_exo -59.37 150.08 77.21 Favored 'Trans proline' 0 C--N 1.303 -1.832 0 C-N-CA 122.713 2.275 . . . . 0.0 112.151 179.787 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.448 ' CD2' ' N ' ' A' ' 10' ' ' VAL . 40.0 t80 -55.93 150.35 13.53 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.149 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.537 ' O ' HG23 ' A' ' 10' ' ' VAL . 31.2 m -127.7 125.82 23.81 Favored Pre-proline 0 C--N 1.327 -0.383 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 178.473 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.516 ' O ' ' O ' ' A' ' 10' ' ' VAL . 53.1 Cg_exo -35.84 -106.57 0.0 OUTLIER 'Trans proline' 0 N--CA 1.497 1.695 0 C-N-CA 122.389 2.059 . . . . 0.0 112.977 -179.23 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 56.7 p -97.98 119.62 61.78 Favored Pre-proline 0 CA--C 1.535 0.39 0 O-C-N 121.781 -0.575 . . . . 0.0 109.944 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_endo -76.78 157.05 35.38 Favored 'Trans proline' 0 N--CA 1.491 1.329 0 C-N-CA 121.607 1.538 . . . . 0.0 112.273 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -59.29 -15.54 16.46 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.932 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -59.9 -39.41 85.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.264 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 74.6 t -61.72 -46.92 95.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.353 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 54.0 t -64.52 -39.42 85.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.46 179.02 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.8 mmm-85 -58.88 -41.7 87.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.312 -178.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -66.47 -38.61 87.71 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.556 -0.457 . . . . 0.0 111.474 179.423 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 64.6 mtt -62.34 -36.55 82.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.484 -179.08 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.2 mp -72.55 -40.53 66.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.12 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -63.13 -45.36 92.32 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.807 0.337 . . . . 0.0 111.881 -179.032 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.53 ' HB ' HD22 ' A' ' 154' ' ' LEU . 38.0 pt -70.95 -33.0 50.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.922 -179.004 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.433 ' HB1' HG13 ' A' ' 98' ' ' VAL . . . -81.28 30.26 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.255 -179.753 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.424 ' H ' ' C ' ' A' ' 23' ' ' ILE . 72.5 mmtt 33.54 50.66 0.3 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.403 -0.817 . . . . 0.0 112.0 177.478 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.423 HG22 HG11 ' A' ' 98' ' ' VAL . 91.5 t -85.7 112.33 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 120.265 -0.574 . . . . 0.0 111.022 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.8 t -114.67 171.4 7.66 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.738 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -61.23 -18.72 59.75 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.887 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 29' ' ' ASP . 52.6 t0 -94.13 -14.85 25.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.939 -179.764 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -96.05 144.74 26.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.838 0.352 . . . . 0.0 110.916 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.564 HD11 ' HA ' ' A' ' 96' ' ' ALA . 1.6 pp -95.1 160.53 2.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.521 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 95.4 t -125.25 120.83 59.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.234 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 1.8 m-30 -116.44 102.09 9.21 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 178.164 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.59 ' HB1' HD13 ' A' ' 42' ' ' ILE . . . -118.46 143.58 46.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.011 0.434 . . . . 0.0 111.416 -178.652 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.458 HD12 ' H ' ' A' ' 35' ' ' LEU . 0.8 OUTLIER -109.05 3.62 22.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.466 179.747 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.468 ' O ' ' O ' ' A' ' 37' ' ' CYS . . . -95.41 13.43 66.67 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.56 -0.616 . . . . 0.0 111.56 -179.585 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.594 ' SG ' ' N ' ' A' ' 40' ' ' GLY . 13.7 t -42.54 -100.08 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.661 0.267 . . . . 0.0 111.056 -179.399 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.565 ' N ' ' SG ' ' A' ' 37' ' ' CYS . . . 76.25 5.28 81.12 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' A' ' 40' ' ' GLY . 48.8 p30 179.86 -21.5 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 120.692 0.282 . . . . 0.0 110.589 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.594 ' N ' ' SG ' ' A' ' 37' ' ' CYS . . . 91.05 -7.34 81.13 Favored Glycine 0 C--O 1.22 -0.767 0 N-CA-C 110.527 -1.029 . . . . 0.0 110.527 -179.679 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.8 tpp85 -56.22 -28.2 57.5 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.048 0.452 . . . . 0.0 110.341 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.618 HG23 HG23 ' A' ' 43' ' ' ILE . 18.0 tt -69.25 -44.48 80.54 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.478 -179.494 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.618 HG23 HG23 ' A' ' 42' ' ' ILE . 29.7 pt -89.32 -29.62 5.15 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -179.212 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 73.2 mt -61.64 -42.24 93.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.65 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 75.4 m -65.54 -23.16 66.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.147 0.498 . . . . 0.0 110.165 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.718 ' HB1' HG11 ' A' ' 52' ' ' VAL . . . -75.69 -66.39 0.78 Allowed 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.92 179.356 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.58 -38.5 81.36 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.473 -179.181 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -62.86 -45.91 90.36 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.561 -0.455 . . . . 0.0 111.248 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -106.76 -52.33 2.79 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -178.496 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.574 ' N ' ' O ' ' A' ' 46' ' ' ALA . 33.8 m-85 -72.35 -6.92 46.69 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -178.352 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 57.8 t30 51.52 33.09 9.82 Favored 'General case' 0 C--N 1.331 -0.216 0 O-C-N 122.092 -0.38 . . . . 0.0 111.756 178.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.749 HG21 ' HB2' ' A' ' 55' ' ' ALA . 3.0 m -53.79 126.29 9.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.364 0.602 . . . . 0.0 110.893 -179.158 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -46.86 -45.21 20.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.207 -178.542 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.556 ' NZ ' ' CG2' ' A' ' 56' ' ' VAL . 17.8 tttm -141.54 127.9 19.93 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.905 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.749 ' HB2' HG21 ' A' ' 52' ' ' VAL . . . -127.68 130.51 48.99 Favored 'General case' 0 C--N 1.333 -0.111 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 179.59 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.556 ' CG2' ' NZ ' ' A' ' 54' ' ' LYS . 58.6 t -135.59 135.35 51.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.522 -179.284 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -109.16 126.44 8.1 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 109.755 -1.338 . . . . 0.0 109.755 178.401 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 96.2 t -98.44 123.0 50.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.45 ' OE1' ' N ' ' A' ' 38' ' ' GLY . 88.3 tt0 -173.14 148.34 1.68 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.751 -179.642 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.671 ' O ' HG23 ' A' ' 60' ' ' ILE . 16.8 tt -133.98 113.38 17.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 178.643 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -151.32 179.46 8.31 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 179.389 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.593 ' O ' HG22 ' A' ' 65' ' ' ILE . 97.9 m-20 -106.91 -65.59 1.08 Allowed 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.725 -0.39 . . . . 0.0 111.672 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -69.54 -38.97 77.72 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 -178.531 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 84.2 mtt85 -77.1 -7.9 56.55 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.319 -178.556 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.593 HG22 ' O ' ' A' ' 62' ' ' ASP . 15.8 tt -61.63 -38.73 80.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 120.451 -0.5 . . . . 0.0 111.272 -178.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.457 ' N ' ' CG2' ' A' ' 65' ' ' ILE . 33.0 ptt180 -80.78 -31.02 35.91 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.294 -178.816 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -60.8 -50.91 71.55 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 120.099 -0.641 . . . . 0.0 111.145 -178.628 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.22 -40.91 97.67 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 112.608 0.596 . . . . 0.0 112.608 -178.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 36.7 mt -60.44 -40.64 91.84 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.375 -0.53 . . . . 0.0 110.15 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.3 -38.13 89.94 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.7 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -66.3 -24.87 66.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.17 -178.476 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.5 mp -74.1 -48.61 37.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 178.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.7 -39.11 93.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.184 179.314 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -56.82 -40.02 75.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.285 -179.007 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 66.0 m-80 -93.52 4.09 54.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.894 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 49.51 42.58 35.08 Favored Glycine 0 CA--C 1.525 0.698 0 C-N-CA 121.178 -0.534 . . . . 0.0 111.958 178.091 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 5.1 m -107.92 15.8 7.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 C-N-CA 120.689 -0.404 . . . . 0.0 111.583 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.1 p -46.69 162.75 0.04 OUTLIER 'General case' 0 CA--C 1.513 -0.451 0 CA-C-O 121.484 0.659 . . . . 0.0 111.212 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 77.66 -32.48 1.66 Allowed Glycine 0 N--CA 1.444 -0.778 0 CA-C-N 114.839 -1.073 . . . . 0.0 111.159 179.104 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.6 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 51.8 mtt-85 -102.13 -25.74 13.61 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 116.981 0.391 . . . . 0.0 110.284 -179.53 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -122.76 135.4 54.55 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.318 -179.344 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 96.8 p -151.18 168.8 23.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.324 -179.563 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.02 137.27 58.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.246 179.407 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 94.3 t -126.98 131.65 70.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.021 -179.385 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 29.6 mtmm -101.12 152.69 20.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.038 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 148.25 -174.25 28.0 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 179.516 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.571 ' O ' HG23 ' A' ' 91' ' ' VAL . 98.6 m-20 -83.22 137.32 34.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.971 0.415 . . . . 0.0 110.612 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -59.28 -38.84 81.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.566 -178.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -65.68 -41.55 92.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.259 0.552 . . . . 0.0 110.02 179.111 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -67.67 -37.31 82.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.357 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 87' ' ' ASN . 87.0 t -68.71 125.1 25.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.186 0.517 . . . . 0.0 111.436 -178.69 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -100.57 125.63 46.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.915 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.448 HD12 HG11 ' A' ' 99' ' ' VAL . 46.9 pt -111.34 18.54 7.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.807 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 91.9 p -60.51 -27.82 67.9 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.167 -178.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -74.04 -21.14 60.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.847 0.355 . . . . 0.0 111.043 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.564 ' HA ' HD11 ' A' ' 31' ' ' ILE . . . -72.96 140.76 47.62 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.383 -178.576 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.794 HG23 HG23 ' A' ' 98' ' ' VAL . 9.9 t -100.35 -25.48 14.21 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.845 178.231 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.794 HG23 HG23 ' A' ' 97' ' ' THR . 75.7 t -131.92 131.67 61.68 Favored 'Isoleucine or valine' 0 C--O 1.231 0.101 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.348 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.448 HG11 HD12 ' A' ' 93' ' ' ILE . 20.3 m -138.94 153.5 25.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.033 0.444 . . . . 0.0 111.01 179.053 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 70.9 p -139.68 159.71 41.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.206 179.302 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 99.1 mtp -128.2 131.9 48.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.183 179.275 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.476 ' O ' ' CD2' ' A' ' 102' ' ' PHE . 85.5 t80 -153.37 82.75 1.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.464 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.47 ' CD2' ' O ' ' A' ' 105' ' ' THR . 58.2 tp -149.89 135.28 18.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.171 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 60.0 tp -61.02 -43.29 99.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.543 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.47 ' O ' ' CD2' ' A' ' 103' ' ' LEU . 97.1 m -110.87 129.34 55.9 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.871 -179.624 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 56.2 p30 -150.65 174.25 13.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.45 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.552 HG12 ' H ' ' A' ' 109' ' ' GLU . 83.3 t -120.84 124.38 72.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.699 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -101.04 7.69 43.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.403 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.552 ' H ' HG12 ' A' ' 107' ' ' VAL . 99.9 mt-10 -83.61 139.07 33.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.644 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.565 ' O ' HD12 ' A' ' 111' ' ' LEU . 63.5 mtt 43.53 28.91 0.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.78 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.565 HD12 ' O ' ' A' ' 110' ' ' MET . 1.3 mp -130.76 95.42 3.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.489 179.594 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.403 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 6.1 mtmt 177.72 -56.35 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.551 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.403 ' HD2' ' N ' ' A' ' 112' ' ' LYS . 58.5 Cg_endo -72.17 -19.79 25.64 Favored 'Trans proline' 0 N--CA 1.493 1.474 0 C-N-CA 121.909 1.739 . . . . 0.0 112.462 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -65.31 -35.85 82.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.905 179.457 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 97.9 mt -59.44 -37.06 77.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.462 -178.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.54 -22.73 67.05 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.835 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -99.66 -42.1 7.02 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.935 -179.646 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -72.15 -52.8 14.94 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.858 -179.517 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.483 HD13 HG21 ' A' ' 123' ' ' THR . 88.5 mt -86.78 128.51 35.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.292 -179.412 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -73.92 153.07 88.95 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.389 -179.567 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -52.0 136.07 52.16 Favored 'Trans proline' 0 N--CA 1.496 1.647 0 C-N-CA 121.621 1.547 . . . . 0.0 112.307 179.532 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 103.16 -6.74 51.13 Favored Glycine 0 CA--C 1.52 0.36 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' THR . . . . . 0.483 HG21 HD13 ' A' ' 119' ' ' LEU . 16.0 m -71.37 142.18 50.36 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.092 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -98.14 129.17 44.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.001 0.429 . . . . 0.0 110.476 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 59.9 t -122.75 128.64 75.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.979 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 52.6 t -119.84 121.45 66.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.692 -179.458 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 4.1 t -93.08 159.07 15.46 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.299 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' HIS . . . . . 0.572 ' CG ' ' N ' ' A' ' 129' ' ' GLU . 30.3 t-80 -71.43 -103.04 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.468 -179.439 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.572 ' N ' ' CG ' ' A' ' 128' ' ' HIS . 52.0 tp10 -106.74 -25.26 11.81 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.825 -179.603 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -80.49 138.09 36.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.91 -179.3 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -91.17 138.48 31.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.246 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 64.7 mt -70.54 114.07 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.451 -0.5 . . . . 0.0 109.854 -179.543 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 20.0 tpt180 -74.49 139.47 43.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.575 179.384 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 90.48 -22.15 28.74 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.236 -0.745 . . . . 0.0 111.236 179.298 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' TRP . . . . . 0.59 ' CZ3' ' CE2' ' A' ' 155' ' ' TYR . 16.7 m0 -106.39 154.07 21.34 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.584 ' ND2' ' O ' ' A' ' 161' ' ' LYS . 26.7 m-20 -112.08 99.86 47.32 Favored Pre-proline 0 CA--C 1.535 0.379 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.104 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo -55.62 151.68 37.72 Favored 'Trans proline' 0 N--CA 1.498 1.739 0 C-N-CA 122.356 2.037 . . . . 0.0 111.919 179.18 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -87.33 -51.61 5.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.002 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -125.8 123.1 38.02 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.739 -179.512 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 58.0 t -129.13 126.47 64.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.756 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 24.2 pt -141.71 164.14 19.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.462 -0.495 . . . . 0.0 111.36 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 20.7 mtmt -121.54 150.32 41.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.399 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 60.0 t -126.28 129.74 72.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.826 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -109.99 119.15 38.39 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.836 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -139.15 97.56 3.33 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.818 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 97.6 -120.67 6.83 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -114.79 15.6 17.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.749 0.309 . . . . 0.0 110.307 179.38 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' MET . . . . . 0.506 ' N ' ' SD ' ' A' ' 148' ' ' MET . 2.7 mpp? -141.19 157.38 45.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.503 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 49.6 p30 -124.82 166.34 16.41 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.24 0.543 . . . . 0.0 110.73 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -138.22 148.24 44.57 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.044 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.423 ' O ' ' O ' ' A' ' 128' ' ' HIS . 61.6 m -124.01 139.31 54.07 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 179.707 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 70.4 t -128.5 131.08 69.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.182 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -106.83 131.25 54.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.128 -179.579 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.53 HD22 ' HB ' ' A' ' 23' ' ' ILE . 64.7 tp -115.54 124.81 51.97 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.757 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 155' ' ' TYR . . . . . 0.59 ' CE2' ' CZ3' ' A' ' 135' ' ' TRP . 72.6 t80 -139.6 131.45 27.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.813 0.34 . . . . 0.0 111.231 -179.526 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 6.4 p -98.22 139.56 20.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.686 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 157' ' ' ILE . . . . . . . . . . . . . 47.6 mm -73.56 135.07 28.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.307 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 140.17 -32.94 2.14 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 159' ' ' GLU . . . . . 0.453 ' O ' ' OH ' ' A' ' 155' ' ' TYR . 52.8 tp10 -146.93 115.65 6.79 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 179.3 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 160' ' ' HIS . . . . . 0.566 ' O ' ' N ' ' A' ' 162' ' ' ALA . 25.8 p80 -108.82 -139.13 0.38 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.366 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 161' ' ' LYS . . . . . 0.584 ' O ' ' ND2' ' A' ' 136' ' ' ASN . 14.4 mtmt 20.25 -81.65 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.514 0 O-C-N 123.638 0.586 . . . . 0.0 112.312 -179.408 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 162' ' ' ALA . . . . . 0.566 ' N ' ' O ' ' A' ' 160' ' ' HIS . . . . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 117.952 -1.023 . . . . 0.0 110.626 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.3 mtm . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.468 -0.568 . . . . 0.0 109.468 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.5 p -152.91 160.56 43.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.476 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.411 ' O ' ' CG ' ' A' ' 3' ' ' TYR . 17.8 t80 177.27 -19.17 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.775 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.587 ' N ' ' CD ' ' A' ' 5' ' ' PRO . 1.4 t -61.72 -39.97 65.47 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.135 -179.535 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 4' ' ' VAL . 31.7 Cg_exo -60.59 138.16 78.26 Favored 'Trans proline' 0 N--CA 1.496 1.674 0 C-N-CA 122.022 1.815 . . . . 0.0 111.94 -179.647 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.534 ' CG ' ' O ' ' A' ' 5' ' ' PRO . 0.9 OUTLIER 163.69 -85.09 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.135 0.493 . . . . 0.0 110.223 179.83 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.695 ' O ' HG23 ' A' ' 7' ' ' VAL . 33.2 m -130.03 71.42 82.2 Favored Pre-proline 0 C--N 1.32 -0.707 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.429 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.4 152.19 65.84 Favored 'Trans proline' 0 N--CA 1.492 1.406 0 C-N-CA 122.123 1.882 . . . . 0.0 112.373 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -118.96 132.07 56.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.322 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 58.3 t -111.99 105.01 56.47 Favored Pre-proline 0 CA--C 1.537 0.478 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.73 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -72.92 -34.4 6.62 Favored 'Trans proline' 0 N--CA 1.493 1.479 0 C-N-CA 121.436 1.424 . . . . 0.0 113.028 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -44.75 107.65 0.65 Allowed Pre-proline 0 CA--C 1.538 0.501 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.449 -178.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -52.49 178.52 0.04 OUTLIER 'Trans proline' 0 N--CA 1.496 1.631 0 C-N-CA 122.211 1.941 . . . . 0.0 112.488 179.117 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.424 ' OE2' ' NH2' ' A' ' 41' ' ' ARG . 99.9 mt-10 -59.22 -13.66 8.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.263 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -48.01 -32.04 6.1 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.389 -179.339 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.1 t -60.83 -47.95 91.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.642 179.605 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 58.4 t -64.0 -39.88 87.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.29 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.8 mmm-85 -59.35 -42.9 92.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.497 -179.165 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.8 mmt85 -66.98 -38.7 86.53 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.573 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 95.8 mtp -62.09 -36.01 80.42 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.404 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.0 mp -73.37 -40.92 64.0 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.156 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -63.62 -46.2 86.81 Favored 'General case' 0 CA--C 1.521 -0.163 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -178.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.573 ' HB ' HD22 ' A' ' 154' ' ' LEU . 34.2 pt -68.17 -37.73 78.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.904 0.383 . . . . 0.0 110.961 -178.757 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.502 ' HB1' HG13 ' A' ' 98' ' ' VAL . . . -65.23 -13.1 57.51 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.342 -179.573 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.5 tptt 70.81 60.42 0.19 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.18 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.541 HG22 HG21 ' A' ' 98' ' ' VAL . 86.6 t -96.07 114.62 33.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.027 -179.692 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.437 ' H ' ' HB2' ' A' ' 30' ' ' ASP . 12.6 t -113.52 171.27 7.67 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.563 179.108 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 17.9 pm0 -60.4 -19.87 57.58 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.596 -179.191 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -97.45 -0.1 46.73 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.284 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.437 ' HB2' ' H ' ' A' ' 27' ' ' SER . 97.3 m-20 -106.02 137.57 43.71 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.878 0.371 . . . . 0.0 111.523 -179.378 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.647 HD13 ' CE2' ' A' ' 33' ' ' TYR . 1.1 pp -87.04 155.09 3.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.642 179.687 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.552 ' N ' HD12 ' A' ' 31' ' ' ILE . 96.4 t -124.32 118.88 55.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.245 179.57 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.814 ' CD1' ' HB2' ' A' ' 96' ' ' ALA . 10.5 m-30 -114.76 113.75 24.68 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 176.615 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.484 ' HB1' HD13 ' A' ' 42' ' ' ILE . . . -127.33 141.7 51.63 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.966 -179.349 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.4 mp -104.56 4.02 32.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.8 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.468 ' O ' ' O ' ' A' ' 37' ' ' CYS . . . -97.33 13.9 64.03 Favored Glycine 0 CA--C 1.527 0.816 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.274 -178.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.468 ' O ' ' O ' ' A' ' 36' ' ' GLY . 2.2 p -52.36 -110.65 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 117.257 0.529 . . . . 0.0 111.194 -179.609 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.16 12.19 84.28 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.196 -1.161 . . . . 0.0 110.196 -179.182 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.447 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 64.7 t0 -175.36 -27.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.162 0.506 . . . . 0.0 109.722 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.1 -4.38 82.96 Favored Glycine 0 C--O 1.218 -0.894 0 N-CA-C 110.751 -0.939 . . . . 0.0 110.751 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.424 ' NH2' ' OE2' ' A' ' 14' ' ' GLU . 61.3 ttm-85 -58.73 -36.61 74.58 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.204 0.526 . . . . 0.0 110.078 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.615 HG23 HG23 ' A' ' 43' ' ' ILE . 18.7 tt -62.78 -44.57 99.61 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.653 -179.553 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.615 HG23 HG23 ' A' ' 42' ' ' ILE . 39.5 pt -88.06 -29.1 5.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -179.233 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 56.4 mt -61.05 -40.76 86.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 111.58 0.215 . . . . 0.0 111.58 179.154 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 93.8 m -64.48 -27.48 69.01 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.162 0.506 . . . . 0.0 110.131 179.404 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.745 ' HB1' HG11 ' A' ' 52' ' ' VAL . . . -71.89 -68.03 0.49 Allowed 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.903 179.411 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.75 -38.68 78.96 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.584 -178.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -62.96 -46.16 89.04 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.494 -179.631 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -106.74 -50.99 3.01 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -178.202 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.556 ' N ' ' O ' ' A' ' 46' ' ' ALA . 33.8 m-85 -72.84 -7.7 52.02 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.715 -178.374 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 58.6 t30 50.24 34.24 8.46 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.264 179.122 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.747 HG21 ' HB2' ' A' ' 55' ' ' ALA . 10.7 m -45.2 166.35 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 CA-C-O 121.293 0.568 . . . . 0.0 111.154 -178.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -80.73 -50.91 9.27 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.168 -0.923 . . . . 0.0 109.376 178.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -143.35 116.39 8.88 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.169 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.747 ' HB2' HG21 ' A' ' 52' ' ' VAL . . . -111.67 125.26 53.76 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 179.652 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 63.0 t -133.82 135.6 55.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.566 -179.283 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -105.99 131.72 10.78 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 178.377 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 77.2 t -106.41 120.06 56.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.906 0.384 . . . . 0.0 110.366 -179.482 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.437 ' OE2' ' OD1' ' A' ' 61' ' ' ASN . 88.4 tt0 -175.68 152.51 1.3 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.707 179.622 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.616 ' O ' HG23 ' A' ' 60' ' ' ILE . 20.5 tt -134.73 118.63 26.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 178.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.453 ' H ' HD13 ' A' ' 65' ' ' ILE . 23.4 m120 -149.64 -176.12 5.28 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.496 ' O ' HG22 ' A' ' 65' ' ' ILE . 66.1 m-20 -108.96 -68.45 0.92 Allowed 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.839 -0.344 . . . . 0.0 111.159 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -70.47 -38.44 74.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.887 -179.38 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 85.0 mtp180 -80.34 -7.6 59.14 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.46 -178.665 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.496 HG22 ' O ' ' A' ' 62' ' ' ASP . 4.4 tp -64.89 -37.99 81.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 120.486 -0.486 . . . . 0.0 111.245 -179.081 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.428 ' N ' ' CG2' ' A' ' 65' ' ' ILE . 36.7 ptt85 -82.31 -27.31 32.35 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 -179.487 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -60.96 -47.51 86.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.558 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.12 -40.77 95.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.68 0.276 . . . . 0.0 111.482 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 63.0 mt -62.28 -41.8 98.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.016 0.436 . . . . 0.0 110.433 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.49 -39.69 94.31 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.804 -179.083 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 26.4 m120 -60.64 -44.42 96.41 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.107 -0.637 . . . . 0.0 110.689 -178.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.5 mp -53.1 -50.0 47.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.401 -179.386 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -64.64 -42.37 95.49 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.507 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -57.16 -39.37 75.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.372 -178.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -92.44 3.26 55.83 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.337 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 49.82 44.0 39.4 Favored Glycine 0 CA--C 1.523 0.587 0 C-N-CA 121.104 -0.57 . . . . 0.0 112.204 177.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.1 m -104.34 11.54 8.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.029 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.63 122.43 9.83 Favored 'General case' 0 CA--C 1.52 -0.177 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.923 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 112.64 -10.87 25.72 Favored Glycine 0 CA--C 1.519 0.328 0 N-CA-C 110.106 -1.198 . . . . 0.0 110.106 -179.509 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.511 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 65.5 mtt180 -129.86 -25.11 2.6 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 178.764 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -125.83 134.35 51.68 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.941 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 97.6 p -151.12 167.7 26.94 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.891 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.97 137.29 57.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.682 179.55 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 83.6 t -120.4 126.42 75.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.201 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 17.2 ptmt -99.77 157.25 16.63 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.692 179.091 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 137.61 -158.97 24.76 Favored Glycine 0 CA--C 1.521 0.467 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -102.13 132.48 47.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.186 0.517 . . . . 0.0 111.416 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.467 ' HE2' ' HZ1' ' A' ' 112' ' ' LYS . 81.4 t80 -55.14 -40.16 70.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.94 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -59.42 -48.57 81.13 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -64.66 -39.87 94.45 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.904 179.556 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 88.0 t -71.12 131.65 34.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.206 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -103.74 130.19 51.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.358 179.6 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 39.5 pt -119.77 19.06 6.34 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.2 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.472 ' CB ' ' O ' ' A' ' 118' ' ' GLU . 91.7 p -60.62 -32.67 71.81 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.264 -179.494 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -73.24 -18.72 61.2 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.24 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.814 ' HB2' ' CD1' ' A' ' 33' ' ' TYR . . . -68.65 133.73 48.89 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.637 -178.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.761 HG23 HG23 ' A' ' 98' ' ' VAL . 15.2 t -95.36 -32.14 13.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.262 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.761 HG23 HG23 ' A' ' 97' ' ' THR . 71.7 t -123.48 126.61 73.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.996 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 61.8 t -137.22 145.8 29.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.058 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 67.5 p -129.48 156.89 43.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.707 179.193 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 99.5 mtp -126.36 136.72 53.06 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.878 0.371 . . . . 0.0 110.872 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -153.42 91.12 1.47 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.408 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.47 ' O ' ' CG2' ' A' ' 107' ' ' VAL . 88.1 mt -123.05 135.26 54.36 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.405 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.663 HD12 ' N ' ' A' ' 104' ' ' LEU . 8.1 mp -64.27 -40.2 95.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.553 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 61.0 p -134.9 161.8 34.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.861 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 54.58 38.66 30.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.05 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.47 ' CG2' ' O ' ' A' ' 103' ' ' LEU . 58.2 t -62.98 -44.43 99.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.952 0.406 . . . . 0.0 110.424 179.531 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.535 ' ND2' ' O ' ' A' ' 131' ' ' GLU . 52.7 p30 -152.2 -161.83 1.39 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.481 -179.591 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.524 ' CB ' ' O ' ' A' ' 108' ' ' ASN . 37.8 tt0 95.46 -21.65 0.05 Allowed 'General case' 0 N--CA 1.468 0.444 0 O-C-N 124.069 0.855 . . . . 0.0 110.302 -179.77 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.42 ' O ' ' O ' ' A' ' 111' ' ' LEU . 79.0 mtm -92.29 -5.28 52.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.079 -0.509 . . . . 0.0 109.683 179.077 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.42 ' O ' ' O ' ' A' ' 110' ' ' MET . 85.6 mt 60.24 137.99 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.103 -179.192 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.467 ' HZ1' ' HE2' ' A' ' 88' ' ' PHE . 18.9 tptm -132.42 70.9 79.66 Favored Pre-proline 0 CA--C 1.533 0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.564 -179.279 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -71.46 -13.46 30.35 Favored 'Trans proline' 0 N--CA 1.496 1.631 0 C-N-CA 122.465 2.11 . . . . 0.0 111.951 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -60.59 -23.57 64.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.776 -179.158 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 95.9 mt -61.35 -34.13 74.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.041 0.448 . . . . 0.0 110.02 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.518 ' OE2' ' CD2' ' A' ' 160' ' ' HIS . 96.6 mt-10 -64.04 -23.53 67.36 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.374 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.454 ' CD ' ' C ' ' A' ' 117' ' ' LYS . 0.0 OUTLIER -99.0 -44.72 6.21 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.632 -179.458 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.472 ' O ' ' CB ' ' A' ' 94' ' ' SER . 80.5 mm-40 -68.72 -52.36 31.59 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.763 -179.662 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.429 HD13 HG21 ' A' ' 123' ' ' THR . 87.1 mt -87.58 130.31 34.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.687 -179.349 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -71.92 153.3 92.97 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.012 179.363 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -56.55 138.9 86.37 Favored 'Trans proline' 0 C--N 1.312 -1.395 0 C-N-CA 121.706 1.604 . . . . 0.0 111.999 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 102.13 -5.84 53.21 Favored Glycine 0 CA--C 1.522 0.488 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' THR . . . . . 0.429 HG21 HD13 ' A' ' 119' ' ' LEU . 6.9 m -72.79 143.29 47.97 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 178.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.513 ' NH2' ' OG1' ' A' ' 97' ' ' THR . 2.8 mpt_? -97.78 129.91 44.76 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.861 0.362 . . . . 0.0 110.744 -179.7 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 58.6 t -123.44 127.88 74.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.041 179.415 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 56.4 t -120.39 122.83 69.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.424 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 50.8 m -92.06 163.44 13.97 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.326 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' HIS . . . . . 0.494 ' CG ' ' N ' ' A' ' 129' ' ' GLU . 21.0 t-160 -74.45 -103.92 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.545 -179.464 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.494 ' N ' ' CG ' ' A' ' 128' ' ' HIS . 52.8 tp10 -103.32 -34.42 8.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.002 -179.494 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -80.09 139.88 36.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.047 0.451 . . . . 0.0 111.335 -178.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.535 ' O ' ' ND2' ' A' ' 108' ' ' ASN . 24.5 pt-20 -84.4 161.83 20.21 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.425 179.651 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 72.1 mt -92.86 119.15 40.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -77.2 140.75 40.22 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.377 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 89.5 -23.46 19.05 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.386 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 12.5 m0 -104.71 147.13 28.01 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.978 0.418 . . . . 0.0 110.808 -179.227 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.528 ' O ' ' CE1' ' A' ' 155' ' ' TYR . 37.9 t-20 -100.75 114.99 65.85 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.82 179.592 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -71.09 149.32 58.22 Favored 'Trans proline' 0 N--CA 1.496 1.64 0 C-N-CA 121.607 1.538 . . . . 0.0 112.314 -179.017 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -87.29 -57.78 2.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.364 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 54.1 tt0 -129.32 128.4 43.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.652 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 1.4 p -142.08 131.75 23.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.953 0.406 . . . . 0.0 110.858 179.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 23.0 pt -138.81 167.3 21.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.516 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 8.6 mtmm -118.07 150.81 38.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.246 179.486 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 62.4 t -125.71 129.16 72.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.696 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' GLU . . . . . 0.414 ' N ' ' OE1' ' A' ' 144' ' ' GLU . 43.9 mp0 -112.04 115.27 28.64 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 179.521 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -134.43 98.75 4.17 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.886 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 96.71 -120.56 6.71 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -114.56 16.19 17.64 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.608 0.242 . . . . 0.0 110.42 179.5 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 63.9 mtt -140.95 158.72 43.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.279 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 49.9 p30 -127.86 165.86 19.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.173 0.511 . . . . 0.0 110.758 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -139.27 151.09 46.19 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.284 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.419 ' O ' ' O ' ' A' ' 128' ' ' HIS . 63.8 m -126.13 140.95 52.16 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 90.1 t -130.8 131.89 64.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.657 0.265 . . . . 0.0 110.802 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -106.81 132.88 52.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.359 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.573 HD22 ' HB ' ' A' ' 23' ' ' ILE . 66.7 tp -117.0 127.71 54.45 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.531 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 155' ' ' TYR . . . . . 0.528 ' CE1' ' O ' ' A' ' 136' ' ' ASN . 77.1 t80 -147.26 137.6 23.33 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 119.805 -0.758 . . . . 0.0 111.799 -179.786 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 88.1 t -96.6 137.3 24.77 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.422 -179.513 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 157' ' ' ILE . . . . . 0.594 HG22 ' N ' ' A' ' 158' ' ' GLY . 51.1 mm -68.53 162.57 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.577 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 158' ' ' GLY . . . . . 0.594 ' N ' HG22 ' A' ' 157' ' ' ILE . . . 113.39 -24.64 12.1 Favored Glycine 0 CA--C 1.522 0.499 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 159' ' ' GLU . . . . . 0.435 ' C ' ' OH ' ' A' ' 155' ' ' TYR . 98.9 mt-10 -138.67 166.75 23.55 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 179.444 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 160' ' ' HIS . . . . . 0.623 ' ND1' ' N ' ' A' ' 161' ' ' LYS . 31.7 p80 -165.19 -132.96 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.241 -0.583 . . . . 0.0 110.654 179.726 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 161' ' ' LYS . . . . . 0.623 ' N ' ' ND1' ' A' ' 160' ' ' HIS . 34.7 ttmt -45.53 144.96 1.38 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.589 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.791 -179.472 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.3 mtt . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.3 p -64.18 -21.81 66.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.921 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -82.67 133.09 35.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.732 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.648 ' O ' HG23 ' A' ' 4' ' ' VAL . 33.7 m -133.03 71.49 77.68 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.89 179.656 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_exo -54.28 -42.2 69.57 Favored 'Trans proline' 0 N--CA 1.497 1.716 0 C-N-CA 122.427 2.085 . . . . 0.0 112.457 -179.614 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -135.24 42.21 2.75 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.194 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.7 t 48.62 72.06 1.39 Allowed Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 179.347 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.424 ' O ' HG23 ' A' ' 10' ' ' VAL . 50.4 Cg_exo -55.76 142.87 82.5 Favored 'Trans proline' 0 C--N 1.302 -1.902 0 C-N-CA 123.199 2.599 . . . . 0.0 112.206 -179.7 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -62.08 130.95 47.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.971 -179.562 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 8' ' ' PRO . 51.1 t -136.59 102.83 9.45 Favored Pre-proline 0 CA--C 1.536 0.43 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.827 179.676 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -78.55 148.86 23.56 Favored 'Trans proline' 0 N--CA 1.492 1.433 0 C-N-CA 121.733 1.622 . . . . 0.0 111.737 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 56.9 p -66.23 151.75 95.23 Favored Pre-proline 0 CA--C 1.534 0.327 0 CA-C-N 116.767 -0.197 . . . . 0.0 110.737 -179.44 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -71.3 164.4 35.85 Favored 'Trans proline' 0 N--CA 1.496 1.632 0 C-N-CA 122.53 2.153 . . . . 0.0 112.565 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.42 ' O ' HG22 ' A' ' 17' ' ' VAL . 54.8 mp0 -67.31 -17.84 64.93 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.954 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -59.79 -29.55 68.29 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.464 -0.495 . . . . 0.0 109.821 -179.54 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 79.0 t -65.67 -44.15 93.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.237 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.42 HG22 ' O ' ' A' ' 14' ' ' GLU . 2.4 m -70.77 -25.92 27.15 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 C-N-CA 119.967 -0.693 . . . . 0.0 110.393 -179.42 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.46 ' NH2' ' OD2' ' A' ' 49' ' ' ASP . 10.0 mmm180 -61.59 -40.75 95.9 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.015 179.28 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.9 mmt180 -69.6 -40.17 76.82 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.834 -0.346 . . . . 0.0 111.713 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 74.4 mtm -63.44 -35.04 79.11 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.223 0.535 . . . . 0.0 110.351 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 84.1 mt -70.77 -40.95 72.33 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.465 -0.789 . . . . 0.0 112.036 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -65.89 -44.32 85.65 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -178.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.2 pt -67.35 -34.54 69.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.85 -178.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.04 -10.55 59.04 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.541 -179.4 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.6 tptm 69.5 49.97 0.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.132 0.491 . . . . 0.0 110.547 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.857 HG13 ' OD2' ' A' ' 30' ' ' ASP . 65.6 t -85.17 116.39 28.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.946 -179.604 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.472 ' H ' ' HB3' ' A' ' 30' ' ' ASP . 80.5 p -116.55 170.33 8.65 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.665 179.503 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -59.85 -21.05 60.43 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.76 -178.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.453 ' OD1' ' OG ' ' A' ' 27' ' ' SER . 44.8 p30 -100.25 10.65 40.92 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.431 -179.594 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.857 ' OD2' HG13 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -113.83 136.27 53.05 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.934 0.397 . . . . 0.0 111.294 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.643 HD13 ' CE2' ' A' ' 33' ' ' TYR . 1.1 pp -88.29 156.61 3.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.583 179.608 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.571 ' N ' HD12 ' A' ' 31' ' ' ILE . 86.7 t -127.31 118.23 49.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.479 179.258 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.851 ' CD1' ' HB2' ' A' ' 96' ' ' ALA . 10.4 m-30 -112.66 105.26 13.39 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 176.693 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.473 ' HB1' HD13 ' A' ' 42' ' ' ILE . . . -111.77 134.58 53.24 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.019 0.438 . . . . 0.0 111.297 -179.083 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.774 HD12 ' SD ' ' A' ' 101' ' ' MET . 97.0 mt -88.24 -8.07 55.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.666 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -108.18 69.42 0.21 Allowed Glycine 0 CA--C 1.528 0.901 0 C-N-CA 121.183 -0.532 . . . . 0.0 113.06 -178.579 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.59 ' SG ' ' N ' ' A' ' 38' ' ' GLY . 11.1 t -89.11 -101.21 0.09 Allowed 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 178.223 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.59 ' N ' ' SG ' ' A' ' 37' ' ' CYS . . . 77.65 6.75 87.09 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.061 -0.815 . . . . 0.0 111.061 179.163 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.458 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 66.8 t0 -177.07 -25.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.043 0.449 . . . . 0.0 109.895 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.567 ' N ' ' SG ' ' A' ' 37' ' ' CYS . . . 90.02 -7.01 82.44 Favored Glycine 0 C--O 1.216 -0.999 0 N-CA-C 110.173 -1.171 . . . . 0.0 110.173 -179.576 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 50.0 ttm-85 -57.46 -26.8 61.76 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.178 0.513 . . . . 0.0 110.023 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.607 HG23 HG23 ' A' ' 43' ' ' ILE . 20.1 tt -69.88 -42.97 79.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.262 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.607 HG23 HG23 ' A' ' 42' ' ' ILE . 26.3 pt -91.35 -30.06 4.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -179.305 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 73.6 mt -61.71 -43.1 96.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 111.694 0.257 . . . . 0.0 111.694 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 65.9 m -63.51 -22.5 66.93 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.346 0.593 . . . . 0.0 109.553 179.243 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.748 ' HB1' HG11 ' A' ' 52' ' ' VAL . . . -74.59 -66.38 0.75 Allowed 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.701 179.101 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.36 -38.69 81.08 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.643 -178.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -62.42 -46.91 86.42 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.589 -0.445 . . . . 0.0 111.223 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.46 ' OD2' ' NH2' ' A' ' 18' ' ' ARG . 64.6 t0 -105.94 -52.1 2.87 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 -178.357 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.575 ' N ' ' O ' ' A' ' 46' ' ' ALA . 45.3 m-85 -72.67 -6.47 44.63 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.087 0.402 . . . . 0.0 112.087 -178.241 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 57.7 t30 50.26 33.93 8.05 Favored 'General case' 0 C--N 1.332 -0.181 0 O-C-N 122.119 -0.363 . . . . 0.0 111.82 178.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.748 HG11 ' HB1' ' A' ' 46' ' ' ALA . 3.0 m -54.07 128.94 14.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.284 0.564 . . . . 0.0 111.189 -178.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -46.73 -47.11 20.64 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.907 -178.47 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -142.93 126.82 17.21 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.651 -0.419 . . . . 0.0 110.155 178.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.735 ' HB2' HG21 ' A' ' 52' ' ' VAL . . . -119.64 123.96 45.14 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 179.285 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 68.0 t -131.93 135.64 58.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.002 -179.404 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -118.52 139.46 14.55 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.446 -1.062 . . . . 0.0 110.446 179.165 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 93.3 t -108.79 126.75 65.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -172.42 148.63 2.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.368 -179.711 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.618 ' O ' HG23 ' A' ' 60' ' ' ILE . 19.7 tt -135.52 117.01 19.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.979 179.1 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.435 ' ND2' ' O ' ' A' ' 60' ' ' ILE . 29.8 m120 -149.65 -178.61 6.54 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.522 ' O ' HG22 ' A' ' 65' ' ' ILE . 98.7 m-20 -108.83 -68.19 0.93 Allowed 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.626 179.492 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -70.17 -38.87 75.51 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.919 0.39 . . . . 0.0 111.954 -179.423 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 -80.69 -7.37 59.3 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.766 -178.383 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.522 HG22 ' O ' ' A' ' 62' ' ' ASP . 13.2 tt -63.5 -38.83 83.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 C-N-CA 120.231 -0.588 . . . . 0.0 111.204 -178.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.457 ' N ' ' CG2' ' A' ' 65' ' ' ILE . 40.3 ptt85 -82.31 -27.94 31.98 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.103 -179.229 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.99 -47.68 85.34 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.013 -179.15 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.81 -40.32 94.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.7 0.286 . . . . 0.0 111.657 -179.382 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.583 HD23 HD11 ' A' ' 83' ' ' ILE . 24.4 mt -61.77 -41.19 97.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.066 0.46 . . . . 0.0 110.067 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.61 -38.78 92.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.044 -179.324 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.436 ' OD1' ' OD1' ' A' ' 75' ' ' ASN . 64.9 t-20 -58.88 -43.43 90.93 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.728 -0.389 . . . . 0.0 111.02 -178.414 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.501 HG23 HG23 ' A' ' 77' ' ' VAL . 69.6 mt -57.31 -46.08 85.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 C-N-CA 120.839 -0.344 . . . . 0.0 111.169 -178.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.36 -41.44 98.61 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.063 -0.655 . . . . 0.0 109.407 179.409 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.4 tptp -56.21 -38.43 71.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.213 -179.187 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.436 ' OD1' ' OD1' ' A' ' 71' ' ' ASN . 33.6 m120 -93.76 3.95 54.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.539 -179.683 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 48.6 42.37 27.37 Favored Glycine 0 CA--C 1.525 0.661 0 C-N-CA 120.826 -0.702 . . . . 0.0 111.704 178.104 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.501 HG23 HG23 ' A' ' 72' ' ' ILE . 6.9 m -110.61 16.23 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 121.098 -0.241 . . . . 0.0 111.539 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.3 p -46.49 163.34 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 120.366 -0.533 . . . . 0.0 110.87 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 77.31 -37.05 1.55 Allowed Glycine 0 CA--C 1.523 0.576 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.323 178.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.652 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 56.8 mtt-85 -96.21 -24.06 16.42 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -119.92 130.18 54.69 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.577 -179.303 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 89.6 p -145.81 163.61 34.49 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.093 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.583 HD11 HD23 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -130.43 139.9 50.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.305 179.669 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 96.3 t -124.58 128.8 73.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.62 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.4 ptmm? -99.03 154.73 17.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.804 0.335 . . . . 0.0 110.288 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 128.58 -161.94 22.24 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 109.908 -1.277 . . . . 0.0 109.908 -179.223 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -95.9 124.7 40.02 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.296 -0.562 . . . . 0.0 110.42 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.432 ' CE1' ' CE1' ' A' ' 89' ' ' PHE . 20.6 p90 -49.7 -19.05 0.55 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.172 -179.088 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.432 ' CE1' ' CE1' ' A' ' 88' ' ' PHE . 42.4 m-85 -66.02 -41.81 90.47 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.493 -0.483 . . . . 0.0 109.948 178.705 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -67.08 -39.41 86.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.149 179.658 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 86.3 t -70.91 130.13 34.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.141 -179.244 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.446 ' OD1' ' O ' ' A' ' 92' ' ' ASP . 49.9 p-10 -94.16 132.1 39.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.314 179.32 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 35.8 pt -122.17 12.43 5.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.67 -179.397 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.431 ' CB ' ' O ' ' A' ' 118' ' ' GLU . 47.3 t -58.02 -37.59 74.62 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.736 -0.386 . . . . 0.0 111.432 -178.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -70.93 -18.01 62.66 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.707 -179.388 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.851 ' HB2' ' CD1' ' A' ' 33' ' ' TYR . . . -66.2 134.48 52.8 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.645 -0.422 . . . . 0.0 111.33 -178.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.601 HG23 HG23 ' A' ' 98' ' ' VAL . 11.6 t -94.37 -32.74 13.45 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.17 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.601 HG23 HG23 ' A' ' 97' ' ' THR . 55.0 t -127.51 128.72 70.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.391 179.257 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.529 HG12 ' HB2' ' A' ' 33' ' ' TYR . 28.6 m -138.16 156.28 30.49 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 CA-C-O 120.869 0.366 . . . . 0.0 110.482 178.482 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.453 HG22 ' HB ' ' A' ' 126' ' ' VAL . 57.9 p -132.91 159.25 40.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.777 179.336 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.774 ' SD ' HD12 ' A' ' 35' ' ' LEU . 26.0 mmt -128.29 137.81 52.13 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.941 0.401 . . . . 0.0 110.768 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 93.4 t80 -153.38 84.2 1.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.352 179.437 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 89.2 mt -124.79 148.64 48.03 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.652 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -62.67 155.17 27.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.159 179.613 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 12.3 t -41.28 133.54 2.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.609 -179.585 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -159.91 166.8 29.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.421 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.695 HG23 ' H ' ' A' ' 108' ' ' ASN . 0.9 OUTLIER -59.71 -89.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.59 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.695 ' H ' HG23 ' A' ' 107' ' ' VAL . 83.1 m-20 51.55 45.14 28.52 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.643 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -59.25 -24.19 63.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.639 -179.599 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 66.8 mtt -84.03 -15.04 49.06 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 179.096 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 71.1 mt 56.06 24.31 7.7 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.611 179.192 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 63.7 mttp 50.51 76.83 0.5 Allowed Pre-proline 0 CA--C 1.532 0.274 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.815 178.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -73.94 -8.79 21.65 Favored 'Trans proline' 0 N--CA 1.493 1.495 0 C-N-CA 122.36 2.04 . . . . 0.0 111.688 -179.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -58.17 -14.11 6.32 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.84 -179.001 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 96.1 mt -60.17 -36.94 78.72 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -65.24 -22.58 66.89 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.419 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -93.69 -44.22 8.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.431 ' O ' ' CB ' ' A' ' 94' ' ' SER . 79.7 mm-40 -73.95 -51.47 15.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.786 -178.682 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.504 HD13 HG21 ' A' ' 123' ' ' THR . 88.7 mt -84.47 133.75 34.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.505 -179.392 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -76.07 152.66 84.41 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.177 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -52.32 136.35 55.1 Favored 'Trans proline' 0 N--CA 1.493 1.494 0 C-N-CA 121.512 1.475 . . . . 0.0 112.135 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 102.94 -7.93 53.44 Favored Glycine 0 CA--C 1.521 0.45 0 N-CA-C 111.488 -0.645 . . . . 0.0 111.488 179.351 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' THR . . . . . 0.504 HG21 HD13 ' A' ' 119' ' ' LEU . 15.8 m -66.56 144.79 56.23 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 178.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.403 ' CG ' HG22 ' A' ' 98' ' ' VAL . 17.2 mmm180 -97.69 124.51 42.04 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 -179.182 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 62.6 t -121.66 126.69 75.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.845 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.453 ' HB ' HG22 ' A' ' 100' ' ' THR . 57.8 t -120.52 121.95 66.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.422 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 64.8 m -98.15 159.6 14.84 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.669 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' HIS . . . . . 0.544 ' CG ' ' N ' ' A' ' 129' ' ' GLU . 37.1 t-80 -64.98 -104.21 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.384 -179.14 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.544 ' N ' ' CG ' ' A' ' 128' ' ' HIS . 87.8 tt0 -106.68 -25.5 11.73 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -179.286 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -76.76 140.09 40.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.025 0.44 . . . . 0.0 111.406 -179.042 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -91.74 142.33 27.71 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.225 179.605 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 65.4 mt -74.56 111.96 11.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.219 -179.358 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 79.5 ttt-85 -76.94 142.2 40.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.938 179.107 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 90.17 -22.55 25.7 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' TRP . . . . . 0.533 ' CZ3' ' CE2' ' A' ' 155' ' ' TYR . 23.2 m0 -102.68 -171.93 2.04 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -138.28 115.43 9.19 Favored Pre-proline 0 CA--C 1.536 0.405 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 178.639 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -72.69 150.82 51.17 Favored 'Trans proline' 0 N--CA 1.491 1.366 0 C-N-CA 121.466 1.444 . . . . 0.0 112.129 -179.186 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 17.5 tptp -84.38 -50.21 8.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.859 0.361 . . . . 0.0 110.425 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -135.23 129.68 34.04 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.498 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 64.1 t -128.65 124.11 60.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.356 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.408 HG21 HD13 ' A' ' 141' ' ' ILE . 21.4 pt -141.71 163.5 19.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 C-N-CA 120.481 -0.487 . . . . 0.0 111.395 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt -118.33 151.8 37.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.868 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 57.4 t -125.18 128.68 73.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.365 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' GLU . . . . . 0.415 ' N ' ' OE1' ' A' ' 144' ' ' GLU . 40.8 mp0 -114.14 121.23 43.14 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.521 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -139.75 98.98 3.59 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 96.84 -119.6 6.41 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -117.03 17.52 14.88 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.705 0.288 . . . . 0.0 110.581 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 74.4 mtm -139.84 157.35 45.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.187 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 51.8 p30 -128.99 165.84 20.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.282 0.563 . . . . 0.0 110.844 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -138.06 151.83 48.22 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.692 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.435 ' O ' ' O ' ' A' ' 128' ' ' HIS . 26.1 m -125.64 141.68 51.9 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.654 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 99.1 t -131.14 135.49 59.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.909 0.385 . . . . 0.0 111.209 -179.132 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -110.85 131.68 54.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.291 179.113 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 69.1 tp -110.0 136.62 48.98 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.341 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 155' ' ' TYR . . . . . 0.572 ' CG ' ' N ' ' A' ' 156' ' ' VAL . 88.6 t80 -139.25 172.16 13.24 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.291 -179.36 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 156' ' ' VAL . . . . . 0.572 ' N ' ' CG ' ' A' ' 155' ' ' TYR . 6.8 p -142.95 132.1 21.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.018 179.559 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 157' ' ' ILE . . . . . . . . . . . . . 43.9 mm -74.25 138.88 20.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.535 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 123.46 -40.55 1.95 Allowed Glycine 0 CA--C 1.52 0.395 0 N-CA-C 110.724 -0.95 . . . . 0.0 110.724 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 159' ' ' GLU . . . . . 0.437 ' O ' ' OH ' ' A' ' 155' ' ' TYR . 99.5 mt-10 -133.92 131.35 38.96 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 179.277 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 160' ' ' HIS . . . . . 0.511 ' O ' ' C ' ' A' ' 161' ' ' LYS . 33.1 p80 -123.8 -151.6 0.48 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.273 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 161' ' ' LYS . . . . . 0.511 ' C ' ' O ' ' A' ' 160' ' ' HIS . 22.1 mtpp 15.05 -96.54 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.596 0 O-C-N 123.83 0.706 . . . . 0.0 112.239 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.945 -1.026 . . . . 0.0 110.498 179.78 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.5 mmt . . . . . 0 N--CA 1.489 1.479 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t 71.15 40.95 0.82 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -101.2 8.54 42.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.511 179.415 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.0 t 52.6 56.93 15.25 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.615 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -70.86 153.15 64.02 Favored 'Trans proline' 0 C--N 1.306 -1.685 0 C-N-CA 122.795 2.33 . . . . 0.0 112.144 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -73.63 135.69 43.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.476 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.9 m -136.77 155.64 76.47 Favored Pre-proline 0 CA--C 1.533 0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.306 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -53.28 141.35 60.18 Favored 'Trans proline' 0 N--CA 1.497 1.73 0 C-N-CA 121.565 1.51 . . . . 0.0 111.856 179.196 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -88.09 128.32 35.42 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.366 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.5 p -139.28 103.73 7.24 Favored Pre-proline 0 CA--C 1.537 0.454 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.492 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -77.78 -69.46 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.194 0 C-N-CA 121.559 1.506 . . . . 0.0 112.325 -179.663 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.516 HG21 ' NE2' ' A' ' 150' ' ' HIS . 78.5 p -70.8 152.01 95.16 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.829 -179.64 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.39 167.49 26.16 Favored 'Trans proline' 0 N--CA 1.494 1.556 0 C-N-CA 122.316 2.011 . . . . 0.0 112.367 179.313 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -59.1 -14.59 10.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.601 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 43.8 tptt -55.52 -31.77 62.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.736 -179.365 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.0 t -60.38 -45.19 96.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.045 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.1 t -63.17 -38.81 83.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.125 178.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.8 mmm-85 -59.59 -40.19 86.65 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.857 -179.212 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.8 mmt180 -69.37 -39.24 78.17 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 120.535 -0.466 . . . . 0.0 111.928 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.411 ' HG2' HG11 ' A' ' 152' ' ' VAL . 76.5 mtm -65.17 -33.56 76.31 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.931 0.396 . . . . 0.0 110.457 -179.656 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 86.3 mt -69.98 -40.34 75.4 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.87 179.654 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -63.77 -43.78 95.34 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.0 0.429 . . . . 0.0 111.923 -179.042 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.529 ' HB ' HD22 ' A' ' 154' ' ' LEU . 38.2 pt -72.41 -30.2 33.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.27 -178.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.489 ' HB1' HG13 ' A' ' 98' ' ' VAL . . . -82.12 29.56 0.41 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.563 -179.539 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt 33.46 54.0 0.46 Allowed 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.95 177.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 64.9 t -86.47 109.05 18.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.148 0.499 . . . . 0.0 110.657 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.541 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 94.3 p -113.69 164.76 13.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.802 179.676 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -59.78 -18.08 40.6 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.909 -179.386 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -97.72 -0.29 45.71 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.929 -0.309 . . . . 0.0 111.235 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -112.21 148.77 33.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.587 -179.823 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.531 HD11 ' HA ' ' A' ' 96' ' ' ALA . 1.7 pp -98.74 162.12 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.576 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 96.7 t -127.14 122.45 60.05 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.155 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.99 179.189 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.482 ' CD2' ' HB2' ' A' ' 96' ' ' ALA . 2.2 m-30 -115.42 99.81 7.64 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 178.793 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.778 ' HB1' HD13 ' A' ' 42' ' ' ILE . . . -94.64 120.0 34.18 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.176 0.512 . . . . 0.0 110.332 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.891 HD12 ' SD ' ' A' ' 101' ' ' MET . 92.0 mt -64.3 -34.9 79.2 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.956 0.724 . . . . 0.0 112.956 -178.261 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -134.68 85.85 0.26 Allowed Glycine 0 N--CA 1.47 0.944 0 C-N-CA 120.363 -0.922 . . . . 0.0 112.401 -179.261 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.503 ' SG ' ' N ' ' A' ' 38' ' ' GLY . 21.4 p -70.22 -57.66 4.65 Favored 'General case' 0 C--O 1.232 0.162 0 O-C-N 122.694 -0.297 . . . . 0.0 111.094 179.404 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.503 ' N ' ' SG ' ' A' ' 37' ' ' CYS . . . 81.18 5.03 90.37 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.032 179.37 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 0.6 OUTLIER 167.1 -10.56 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 117.04 0.42 . . . . 0.0 111.369 179.615 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.418 ' H ' ' HB2' ' A' ' 37' ' ' CYS . . . 91.72 -7.03 79.88 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.788 -0.525 . . . . 0.0 111.788 179.223 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.8 mmt85 -60.36 -16.6 36.77 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 117.394 0.597 . . . . 0.0 111.087 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.778 HD13 ' HB1' ' A' ' 34' ' ' ALA . 13.7 tt -78.59 -41.89 25.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.707 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.618 HG23 HG23 ' A' ' 42' ' ' ILE . 37.2 pt -92.48 -29.91 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.722 -179.051 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.436 ' CD1' ' CG ' ' A' ' 71' ' ' ASN . 73.2 mt -61.77 -42.81 95.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.572 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 87.9 m -66.87 -22.11 65.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.229 0.538 . . . . 0.0 109.632 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.73 ' HB1' HG11 ' A' ' 52' ' ' VAL . . . -74.37 -67.05 0.66 Allowed 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.849 178.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.91 -37.86 80.66 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.467 -179.259 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -63.58 -45.28 91.16 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.08 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -107.16 -53.77 2.57 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 -178.524 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.58 ' N ' ' O ' ' A' ' 46' ' ' ALA . 53.6 m-85 -71.52 -6.53 41.28 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -178.64 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 57.9 t30 50.74 32.94 7.61 Favored 'General case' 0 C--N 1.332 -0.174 0 O-C-N 122.012 -0.43 . . . . 0.0 111.747 178.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.73 HG11 ' HB1' ' A' ' 46' ' ' ALA . 2.9 m -53.72 128.93 14.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.304 0.573 . . . . 0.0 111.235 -179.046 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -48.06 -46.72 33.78 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.397 -178.595 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.4 ttpt -141.54 132.01 25.31 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.02 179.5 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.713 ' HB3' ' O ' ' A' ' 80' ' ' ARG . . . -129.53 129.13 44.1 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.992 0.425 . . . . 0.0 110.494 -179.621 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 68.4 t -136.41 137.22 48.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.248 -179.61 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -119.48 129.44 8.04 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 109.814 -1.315 . . . . 0.0 109.814 178.405 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.452 ' O ' ' O ' ' A' ' 35' ' ' LEU . 61.0 t -95.76 129.15 46.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 120.29 -0.564 . . . . 0.0 109.636 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.459 ' OE1' ' SG ' ' A' ' 37' ' ' CYS . 88.0 tt0 -168.79 144.81 3.52 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.403 -0.519 . . . . 0.0 111.127 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.673 ' O ' HG23 ' A' ' 60' ' ' ILE . 19.8 tt -132.48 113.96 22.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 178.631 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -150.52 -175.65 5.18 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 -179.658 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.553 ' O ' HG22 ' A' ' 65' ' ' ILE . 20.7 p-10 -112.36 -69.35 0.87 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.045 179.697 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.486 ' H ' ' CG ' ' A' ' 62' ' ' ASP . 98.8 mt-10 -71.42 -39.58 70.99 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.957 0.408 . . . . 0.0 111.38 179.738 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -77.6 -10.28 59.41 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.875 -178.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.553 HG22 ' O ' ' A' ' 62' ' ' ASP . 12.2 tt -64.75 -36.81 78.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 C-N-CA 120.152 -0.619 . . . . 0.0 111.255 -178.509 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.424 ' N ' ' CG2' ' A' ' 65' ' ' ILE . 8.0 ptm180 -83.54 -27.13 29.54 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.087 -179.354 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -61.16 -48.39 81.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.302 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.39 -39.56 91.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.614 0.245 . . . . 0.0 111.507 -179.247 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.553 HD23 HD11 ' A' ' 83' ' ' ILE . 25.1 mt -62.33 -41.27 98.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.113 0.482 . . . . 0.0 109.891 179.565 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.52 -38.85 92.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.927 -179.451 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.436 ' CG ' ' CD1' ' A' ' 44' ' ' ILE . 56.4 t-20 -59.36 -44.12 92.75 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.959 -178.179 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.532 HG23 HG23 ' A' ' 77' ' ' VAL . 81.7 mt -57.46 -46.05 85.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.909 -178.794 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.53 -40.83 98.02 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.079 -0.649 . . . . 0.0 109.59 179.325 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -57.1 -39.45 75.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.1 -179.435 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.433 ' OD1' ' OD1' ' A' ' 71' ' ' ASN . 31.2 m120 -92.73 4.08 54.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.337 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 48.34 41.2 23.87 Favored Glycine 0 CA--C 1.524 0.626 0 C-N-CA 120.936 -0.65 . . . . 0.0 111.885 177.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.532 HG23 HG23 ' A' ' 72' ' ' ILE . 5.0 m -108.72 16.01 7.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.404 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 p -45.29 163.84 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 121.218 0.533 . . . . 0.0 110.767 179.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 76.68 -38.1 1.46 Allowed Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.405 178.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.713 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 42.2 mtt85 -94.92 -24.67 16.88 Favored 'General case' 0 CA--C 1.516 -0.353 0 C-N-CA 120.416 -0.514 . . . . 0.0 109.808 -179.688 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -121.67 131.95 54.38 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.538 -179.169 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 89.7 p -147.73 165.86 29.24 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.988 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.553 HD11 HD23 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -129.8 139.02 52.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.554 179.67 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 95.3 t -123.68 128.24 74.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.353 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 9.7 ptmm? -103.4 156.28 17.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.01 179.543 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 137.55 -158.39 24.49 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -97.21 130.92 44.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.173 0.511 . . . . 0.0 111.17 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -54.9 -34.02 62.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.517 -179.132 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -60.27 -48.97 79.46 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.302 0.572 . . . . 0.0 109.617 178.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -64.75 -39.62 93.93 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.407 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 84.0 t -70.15 129.05 34.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.064 0.459 . . . . 0.0 111.114 -179.04 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -104.77 131.97 51.57 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.477 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 38.4 pt -117.44 16.53 7.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.188 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.462 ' CB ' ' O ' ' A' ' 118' ' ' GLU . 88.1 p -61.3 -27.27 68.36 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.578 -0.449 . . . . 0.0 111.478 -179.35 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -73.2 -20.22 60.92 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.796 0.331 . . . . 0.0 111.468 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.531 ' HA ' HD11 ' A' ' 31' ' ' ILE . . . -74.71 142.64 44.4 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 -178.401 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.614 HG23 HG23 ' A' ' 98' ' ' VAL . 14.6 t -100.07 -27.16 13.69 Favored 'General case' 0 CA--C 1.528 0.097 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.172 178.841 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.614 HG23 HG23 ' A' ' 97' ' ' THR . 68.1 t -131.58 131.34 62.61 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.95 179.675 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 75.2 t -132.77 141.66 44.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.694 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 82.5 p -132.38 156.03 47.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.905 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.891 ' SD ' HD12 ' A' ' 35' ' ' LEU . 94.2 mmm -119.75 139.25 52.58 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.738 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -153.87 82.79 1.15 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.884 178.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.445 ' CD2' ' OG1' ' A' ' 105' ' ' THR . 59.4 tp -144.45 136.92 26.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.208 -179.714 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 59.9 tp -60.3 -42.59 95.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.135 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.445 ' OG1' ' CD2' ' A' ' 103' ' ' LEU . 73.0 p -72.7 164.29 26.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.024 0.44 . . . . 0.0 110.769 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 48.7 p30 -82.19 -171.36 3.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.06 -179.606 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 33.3 m -119.47 164.25 15.99 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.122 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -56.94 129.68 42.65 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.033 0.444 . . . . 0.0 111.042 -179.024 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.49 -37.97 88.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.187 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 15.7 mmt -89.09 -71.34 0.6 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.671 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 7.6 mp -50.0 120.01 4.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.441 -179.554 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.56 ' N ' ' CD ' ' A' ' 113' ' ' PRO . 1.4 mmtm 176.19 -43.84 0.0 OUTLIER Pre-proline 0 CA--C 1.533 0.297 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.511 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 112' ' ' LYS . 47.5 Cg_exo -57.4 -19.93 37.9 Favored 'Trans proline' 0 N--CA 1.497 1.69 0 C-N-CA 122.692 2.261 . . . . 0.0 111.876 179.644 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -59.31 -19.21 44.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.76 -179.203 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 96.5 mt -60.66 -36.17 78.04 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.043 0.449 . . . . 0.0 110.112 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -65.45 -22.07 66.72 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.276 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.513 ' N ' ' CD ' ' A' ' 117' ' ' LYS . 0.8 OUTLIER -93.87 -43.97 8.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.495 179.882 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.462 ' O ' ' CB ' ' A' ' 94' ' ' SER . 79.4 mm-40 -74.73 -52.93 10.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.591 -178.808 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.409 HD13 HG21 ' A' ' 123' ' ' THR . 86.7 mt -83.43 137.34 33.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.005 0.431 . . . . 0.0 110.605 -179.467 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 13.5 ptmm? -75.73 156.59 84.66 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.598 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -58.55 137.91 82.88 Favored 'Trans proline' 0 N--CA 1.494 1.55 0 C-N-CA 121.291 1.327 . . . . 0.0 111.427 178.353 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' GLY . . . . . 0.404 ' O ' ' NH2' ' A' ' 124' ' ' ARG . . . 98.1 -1.8 59.42 Favored Glycine 0 CA--C 1.522 0.492 0 C-N-CA 120.77 -0.729 . . . . 0.0 111.463 179.592 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' THR . . . . . 0.409 HG21 HD13 ' A' ' 119' ' ' LEU . 1.9 m -74.93 147.67 40.73 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.167 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.466 ' CG ' HG22 ' A' ' 98' ' ' VAL . 7.7 mmt-85 -99.75 127.17 45.9 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.987 -179.081 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 58.9 t -123.18 128.05 74.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.528 179.336 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 60.3 t -122.36 124.08 70.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.128 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.433 ' O ' ' O ' ' A' ' 128' ' ' HIS . 41.9 t -97.51 137.74 35.99 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.629 -179.73 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' HIS . . . . . 0.469 ' ND1' ' N ' ' A' ' 128' ' ' HIS . 0.0 OUTLIER -47.09 -99.67 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.052 -179.58 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -113.3 -23.2 10.04 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.591 0.234 . . . . 0.0 111.466 -179.539 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -81.83 126.55 31.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.926 0.393 . . . . 0.0 110.931 -179.065 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -82.59 138.6 34.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.659 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 66.7 mt -69.14 118.16 12.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 C-N-CA 120.648 -0.421 . . . . 0.0 109.907 -179.478 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -78.81 140.65 38.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.791 179.322 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 89.53 -14.54 61.03 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' TRP . . . . . 0.509 ' CZ3' ' CE2' ' A' ' 155' ' ' TYR . 10.4 m0 -111.15 155.2 23.23 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.134 0.492 . . . . 0.0 111.677 -179.314 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -105.85 113.54 63.72 Favored Pre-proline 0 CA--C 1.539 0.545 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.108 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -72.8 150.65 50.24 Favored 'Trans proline' 0 N--CA 1.495 1.58 0 C-N-CA 121.787 1.658 . . . . 0.0 112.221 -179.418 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -87.63 -50.39 6.53 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.917 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 54.9 tt0 -130.44 123.44 29.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.413 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 60.1 t -127.69 127.54 68.55 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.725 -179.45 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 24.1 pt -140.17 163.03 24.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 121.13 0.49 . . . . 0.0 111.619 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.441 ' CG ' ' OG1' ' A' ' 151' ' ' THR . 5.0 mtmm -122.79 149.45 44.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.312 179.737 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 61.3 t -124.08 127.57 73.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.121 -0.945 . . . . 0.0 108.911 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -107.47 118.61 37.17 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.565 ' C ' ' H ' ' A' ' 147' ' ' ASN . 67.4 m-20 -110.3 154.39 23.54 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 121.598 0.713 . . . . 0.0 111.077 -179.528 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -46.34 2.78 0.01 OUTLIER Glycine 0 CA--C 1.527 0.821 0 CA-C-N 114.071 -1.422 . . . . 0.0 114.444 -178.106 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' ASN . . . . . 0.565 ' H ' ' C ' ' A' ' 145' ' ' ASP . 98.6 m-20 -137.2 -49.1 0.61 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 117.905 0.853 . . . . 0.0 110.652 178.324 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 64.6 mtt -145.8 165.54 28.55 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.829 -178.507 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 17.1 p30 -108.71 159.42 16.76 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 121.25 0.548 . . . . 0.0 110.903 179.142 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' HIS . . . . . 0.516 ' NE2' HG21 ' A' ' 12' ' ' THR . 84.2 m-70 -140.75 149.44 42.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.225 -179.534 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.441 ' OG1' ' CG ' ' A' ' 142' ' ' LYS . 75.4 m -123.97 139.39 54.0 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.155 -0.684 . . . . 0.0 109.155 179.372 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.411 HG11 ' HG2' ' A' ' 20' ' ' MET . 59.8 t -131.16 133.71 62.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.781 0.324 . . . . 0.0 110.471 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -106.39 132.28 52.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.916 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.529 HD22 ' HB ' ' A' ' 23' ' ' ILE . 64.3 tp -113.36 130.56 56.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.224 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 155' ' ' TYR . . . . . 0.509 ' CE2' ' CZ3' ' A' ' 135' ' ' TRP . 84.6 t80 -142.94 131.92 22.96 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.001 0.429 . . . . 0.0 111.684 -179.134 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 99.2 t -99.69 133.16 43.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.581 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 157' ' ' ILE . . . . . . . . . . . . . 46.0 mm -70.0 132.28 33.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.442 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 140.61 -35.86 1.83 Allowed Glycine 0 CA--C 1.527 0.784 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 159' ' ' GLU . . . . . 0.456 ' O ' ' OH ' ' A' ' 155' ' ' TYR . 99.3 mt-10 -139.94 115.71 10.19 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.051 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 160' ' ' HIS . . . . . 0.411 ' CD2' ' N ' ' A' ' 161' ' ' LYS . 55.1 p-80 -105.82 -144.7 0.38 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.489 -179.215 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 161' ' ' LYS . . . . . 0.411 ' N ' ' CD2' ' A' ' 160' ' ' HIS . 32.9 ttmt -36.64 -52.61 0.89 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.039 -178.378 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.052 -0.975 . . . . 0.0 110.668 -179.97 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.5 mtt . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.484 ' OG ' HG22 ' A' ' 4' ' ' VAL . 46.8 t -151.42 152.2 32.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.702 -179.73 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -96.4 8.5 43.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.399 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.484 HG22 ' OG ' ' A' ' 2' ' ' SER . 27.6 m -69.77 155.42 93.52 Favored Pre-proline 0 CA--C 1.535 0.385 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.005 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -51.23 146.06 24.86 Favored 'Trans proline' 0 N--CA 1.497 1.727 0 C-N-CA 121.696 1.597 . . . . 0.0 111.796 179.565 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 68.9 t60 -162.71 123.22 2.41 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.036 -0.728 . . . . 0.0 109.036 179.45 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 19.0 t -133.31 77.12 67.03 Favored Pre-proline 0 N--CA 1.464 0.248 0 C-N-CA 120.951 -0.299 . . . . 0.0 111.487 -178.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -82.11 164.4 17.45 Favored 'Trans proline' 0 C--N 1.304 -1.793 0 C-N-CA 123.23 2.62 . . . . 0.0 111.798 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -59.05 137.28 58.01 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.152 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.4 m -134.93 144.31 49.87 Favored Pre-proline 0 C--N 1.327 -0.381 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 178.472 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -73.32 160.06 45.66 Favored 'Trans proline' 0 N--CA 1.492 1.399 0 C-N-CA 122.12 1.88 . . . . 0.0 111.428 179.044 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 27.2 m -61.15 132.67 92.5 Favored Pre-proline 0 CA--C 1.538 0.487 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 -179.302 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -47.33 163.77 0.15 Allowed 'Trans proline' 0 N--CA 1.496 1.621 0 C-N-CA 121.739 1.626 . . . . 0.0 112.763 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -62.15 -12.41 19.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.631 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -52.95 -26.42 15.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.45 -178.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 73.3 t -60.6 -46.42 95.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 120.366 -0.534 . . . . 0.0 109.73 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 54.1 t -64.03 -38.75 83.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.749 179.17 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.548 HH22 ' CG ' ' A' ' 49' ' ' ASP . 25.3 mmt180 -59.17 -41.32 88.12 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.009 -178.61 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -65.79 -37.05 85.24 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.526 -0.47 . . . . 0.0 111.095 179.181 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.458 ' CE ' ' OG1' ' A' ' 100' ' ' THR . 95.1 mtp -61.84 -33.97 75.13 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.052 -179.572 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.673 ' O ' HG12 ' A' ' 26' ' ' VAL . 7.8 mp -76.8 -40.56 47.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.849 179.242 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -62.3 -45.1 94.74 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -179.242 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.0 pt -67.11 -36.94 78.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.665 -179.258 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.09 -9.61 58.34 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.621 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 40.2 mmtm 58.85 34.25 23.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.291 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.673 HG12 ' O ' ' A' ' 21' ' ' LEU . 2.3 p -58.98 123.53 11.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.218 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.434 ' H ' ' HB2' ' A' ' 30' ' ' ASP . 91.9 p -109.8 166.36 10.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.021 179.69 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -59.14 -20.11 50.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.855 0.36 . . . . 0.0 110.623 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -97.28 1.05 49.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.194 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.434 ' HB2' ' H ' ' A' ' 27' ' ' SER . 97.0 m-20 -104.8 135.98 45.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.746 0.308 . . . . 0.0 111.233 -179.376 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.665 HD13 ' CE2' ' A' ' 33' ' ' TYR . 1.1 pp -85.37 154.44 3.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.419 179.363 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.523 ' N ' HD12 ' A' ' 31' ' ' ILE . 88.9 t -124.72 117.5 50.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.241 179.512 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.665 ' CE2' HD13 ' A' ' 31' ' ' ILE . 10.9 m-30 -114.33 120.83 41.72 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 176.475 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -140.51 149.06 42.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.936 0.398 . . . . 0.0 111.085 -179.507 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.419 HD12 ' H ' ' A' ' 35' ' ' LEU . 0.9 OUTLIER -109.47 7.74 24.96 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.574 179.793 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.459 ' O ' ' O ' ' A' ' 37' ' ' CYS . . . -94.37 11.24 70.59 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.344 -0.702 . . . . 0.0 111.344 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.585 ' SG ' ' N ' ' A' ' 40' ' ' GLY . 25.4 t -47.77 -103.07 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 121.2 -0.2 . . . . 0.0 111.163 -179.401 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.574 ' N ' ' SG ' ' A' ' 37' ' ' CYS . . . 74.67 10.02 82.84 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.391 -1.084 . . . . 0.0 110.391 -179.552 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 178.25 -21.06 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.805 0.336 . . . . 0.0 110.489 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.585 ' N ' ' SG ' ' A' ' 37' ' ' CYS . . . 89.36 -5.75 83.83 Favored Glycine 0 C--O 1.219 -0.839 0 N-CA-C 111.427 -0.669 . . . . 0.0 111.427 179.593 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -57.67 -35.56 70.73 Favored 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 120.313 -0.555 . . . . 0.0 110.039 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.621 HG23 HG23 ' A' ' 43' ' ' ILE . 17.0 tt -62.02 -44.42 98.93 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.651 -179.101 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.621 HG23 HG23 ' A' ' 42' ' ' ILE . 33.7 pt -89.29 -30.31 5.21 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -179.145 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 71.5 mt -62.03 -41.09 89.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 76.4 m -65.38 -22.41 66.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.056 0.455 . . . . 0.0 110.652 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.555 ' HB1' HG11 ' A' ' 52' ' ' VAL . . . -77.96 -64.03 1.25 Allowed 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.668 179.246 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.453 ' HA ' HG22 ' A' ' 52' ' ' VAL . . . -59.41 -38.92 81.85 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.304 -179.068 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -62.9 -47.19 84.37 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.751 -0.379 . . . . 0.0 111.238 -179.654 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.548 ' CG ' HH22 ' A' ' 18' ' ' ARG . 30.6 t70 -104.27 -54.02 2.62 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -178.549 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.64 ' CD2' HG13 ' A' ' 26' ' ' VAL . 46.3 m-85 -71.11 -6.66 40.91 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -178.315 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 58.6 t30 49.71 34.67 7.67 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.683 178.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.657 HG21 ' HB2' ' A' ' 55' ' ' ALA . 18.5 m -44.54 167.35 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.498 -179.441 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -80.14 -50.46 10.27 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.58 179.01 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.6 tttp -144.76 122.41 11.81 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.116 -0.947 . . . . 0.0 109.442 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.657 ' HB2' HG21 ' A' ' 52' ' ' VAL . . . -115.79 125.05 52.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.008 0.432 . . . . 0.0 110.156 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 68.5 t -131.31 133.84 61.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.902 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -112.52 130.83 9.78 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 110.173 -1.171 . . . . 0.0 110.173 179.009 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 96.3 t -101.32 122.19 53.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 179.65 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -171.24 147.88 2.57 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.729 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.661 ' O ' HG23 ' A' ' 60' ' ' ILE . 20.2 tt -132.64 115.37 24.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 178.671 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.442 ' OD1' ' O ' ' A' ' 60' ' ' ILE . 99.0 m-20 -144.16 176.04 9.62 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -179.706 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.557 ' O ' HG22 ' A' ' 65' ' ' ILE . 24.2 t70 -107.21 -73.04 0.7 Allowed 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.046 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.447 ' O ' ' OE1' ' A' ' 67' ' ' GLU . 99.0 mt-10 -70.06 -39.0 75.94 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.819 -179.392 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 85.4 mtp180 -79.04 -7.15 57.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.737 -178.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.557 HG22 ' O ' ' A' ' 62' ' ' ASP . 15.0 tt -60.44 -39.02 79.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 C-N-CA 120.486 -0.485 . . . . 0.0 111.358 -178.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.463 ' N ' ' CG2' ' A' ' 65' ' ' ILE . 36.7 ptt180 -78.74 -25.55 44.57 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.399 -179.207 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.447 ' OE1' ' O ' ' A' ' 63' ' ' GLU . 4.4 mp0 -62.06 -51.4 68.1 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.533 -0.467 . . . . 0.0 111.201 -179.527 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.79 -41.71 91.8 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -178.203 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.448 HD23 HD11 ' A' ' 83' ' ' ILE . 27.6 mt -60.9 -40.76 94.33 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.32 -0.552 . . . . 0.0 110.069 179.389 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.06 -38.84 92.79 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.956 -179.33 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -60.11 -43.9 95.27 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.12 -0.632 . . . . 0.0 111.129 -178.429 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.8 mp -54.89 -46.21 75.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 C-N-CA 120.524 -0.47 . . . . 0.0 110.932 -178.561 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -63.87 -40.3 96.22 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.279 -0.568 . . . . 0.0 110.005 179.313 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -56.95 -39.87 75.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.395 -179.011 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -92.68 3.0 56.41 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.88 -0.328 . . . . 0.0 111.215 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 49.18 43.34 33.06 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 120.996 -0.621 . . . . 0.0 111.926 177.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 4.5 m -109.46 16.86 7.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 120.979 -0.288 . . . . 0.0 111.249 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.0 p -47.33 161.68 0.08 Allowed 'General case' 0 CA--C 1.513 -0.452 0 CA-C-O 121.366 0.603 . . . . 0.0 111.268 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 79.43 -33.49 2.05 Favored Glycine 0 N--CA 1.446 -0.647 0 CA-C-N 114.964 -1.016 . . . . 0.0 111.025 179.21 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.56 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 41.6 mtt85 -100.38 -24.68 14.45 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.35 -179.498 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -120.59 132.27 55.06 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.754 -179.022 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.9 t -146.65 163.03 37.17 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.278 -179.512 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.448 HD11 HD23 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -128.85 139.04 52.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.193 179.203 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 84.9 t -125.31 128.89 73.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.833 -179.448 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -96.9 153.2 18.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.081 179.388 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 132.23 -161.1 23.85 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.494 -1.043 . . . . 0.0 110.494 -179.514 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -98.38 126.32 43.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.982 0.42 . . . . 0.0 110.679 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 39.1 p90 -51.23 -26.7 7.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.679 -179.218 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -60.71 -48.51 81.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.279 0.562 . . . . 0.0 109.754 179.139 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.12 -38.61 91.87 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.605 179.688 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 83.0 t -69.98 130.37 34.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.741 -179.639 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -96.09 131.34 42.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.062 179.631 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 44.8 pt -122.97 14.3 5.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.328 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.427 ' OG ' ' OE1' ' A' ' 118' ' ' GLU . 71.1 m -57.14 -38.06 72.94 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.601 0.239 . . . . 0.0 111.097 -179.087 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.532 ' OE2' ' CZ ' ' A' ' 33' ' ' TYR . 2.5 pp20? -72.31 -15.51 61.89 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.799 -0.36 . . . . 0.0 111.278 -179.643 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.651 ' HB2' ' CD1' ' A' ' 33' ' ' TYR . . . -65.48 130.16 42.34 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.766 -178.622 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.846 HG23 HG23 ' A' ' 98' ' ' VAL . 8.3 t -94.88 -28.65 15.1 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.488 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.846 HG23 HG23 ' A' ' 97' ' ' THR . 72.1 t -130.27 125.18 59.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.151 179.588 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.412 HG12 ' HB2' ' A' ' 33' ' ' TYR . 27.0 m -139.77 156.75 26.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 121.027 0.441 . . . . 0.0 111.301 179.113 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.458 ' OG1' ' CE ' ' A' ' 20' ' ' MET . 8.7 t -138.91 152.13 47.5 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.554 178.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 98.9 mtp -117.54 138.9 51.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.039 0.447 . . . . 0.0 111.31 -178.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -147.72 85.88 1.57 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.264 179.442 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 88.6 mt -124.07 139.52 53.86 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.455 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 105' ' ' THR . 86.5 mt -117.55 129.81 56.02 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.695 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 104' ' ' LEU . 2.0 m 34.03 55.29 0.59 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.488 179.601 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -126.1 151.54 47.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.678 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.56 HG12 ' H ' ' A' ' 109' ' ' GLU . 83.8 t -86.02 124.6 40.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.334 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.482 ' C ' ' H ' ' A' ' 110' ' ' MET . 98.5 m-20 -97.5 5.05 50.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.948 -179.686 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.56 ' H ' HG12 ' A' ' 107' ' ' VAL . 52.4 mm-40 55.88 3.07 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.301 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.482 ' H ' ' C ' ' A' ' 108' ' ' ASN . 98.5 mtp 56.84 93.18 0.03 OUTLIER 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 -179.506 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -164.14 41.12 0.09 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.022 179.602 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.616 ' N ' ' CD ' ' A' ' 113' ' ' PRO . 49.6 mttp -72.22 -34.73 2.95 Favored Pre-proline 0 CA--C 1.536 0.434 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.05 -179.674 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 112' ' ' LYS . 53.1 Cg_exo -56.01 -20.96 32.21 Favored 'Trans proline' 0 N--CA 1.498 1.785 0 C-N-CA 122.487 2.125 . . . . 0.0 113.026 -178.709 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -57.85 -27.5 63.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.349 0.595 . . . . 0.0 110.133 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.42 -36.77 78.95 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.27 -179.523 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -63.49 -23.23 67.31 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.029 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 39.7 mmtm -98.18 -34.67 10.65 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.854 -0.338 . . . . 0.0 111.375 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.427 ' OE1' ' OG ' ' A' ' 94' ' ' SER . 73.3 mm-40 -82.83 -51.3 7.78 Favored 'General case' 0 C--N 1.333 -0.139 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.249 -179.345 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.805 HD23 HG21 ' A' ' 123' ' ' THR . 8.3 mp -82.83 130.84 35.19 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 179.661 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -71.5 150.9 93.88 Favored Pre-proline 0 C--N 1.328 -0.341 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.763 -179.194 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_exo -53.26 139.79 63.02 Favored 'Trans proline' 0 N--CA 1.497 1.735 0 C-N-CA 121.813 1.675 . . . . 0.0 112.037 179.219 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' GLY . . . . . 0.457 ' O ' ' NH2' ' A' ' 124' ' ' ARG . . . 100.31 -7.83 58.54 Favored Glycine 0 C--O 1.228 -0.23 0 N-CA-C 110.734 -0.946 . . . . 0.0 110.734 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' THR . . . . . 0.805 HG21 HD23 ' A' ' 119' ' ' LEU . 3.7 m -69.94 147.83 49.72 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 178.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.539 ' N ' ' CD ' ' A' ' 124' ' ' ARG . 0.0 OUTLIER -103.88 128.17 51.38 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.693 -179.271 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 57.6 t -122.75 128.75 75.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.734 178.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 58.3 t -119.2 123.43 71.33 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.473 -178.658 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 67.4 m -97.64 153.69 18.04 Favored 'General case' 0 C--N 1.333 -0.12 0 C-N-CA 120.559 -0.457 . . . . 0.0 110.127 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' HIS . . . . . 0.489 ' CG ' ' N ' ' A' ' 129' ' ' GLU . 2.1 t60 -60.53 -102.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.694 -179.065 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.489 ' N ' ' CG ' ' A' ' 128' ' ' HIS . 52.6 tp10 -106.58 -28.23 10.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.011 -179.236 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -80.9 138.64 36.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.974 0.416 . . . . 0.0 111.164 -179.2 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -87.06 164.28 16.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.188 179.492 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.653 HD12 ' CE1' ' A' ' 155' ' ' TYR . 78.8 mt -96.46 117.79 41.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.569 -179.673 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -73.46 141.34 46.86 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 178.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 89.79 -22.83 22.99 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.404 -0.678 . . . . 0.0 111.404 179.35 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 13.1 m0 -105.73 150.9 25.08 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 120.918 0.39 . . . . 0.0 110.706 -179.442 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 47.7 t-20 -105.75 105.71 53.95 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.623 178.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -55.75 147.5 60.63 Favored 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 121.771 1.648 . . . . 0.0 112.049 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -83.69 -49.0 9.57 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.36 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -138.11 127.1 24.08 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.769 -179.517 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 60.2 t -129.07 126.88 65.15 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.147 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.74 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.401 HG21 HD13 ' A' ' 141' ' ' ILE . 22.1 pt -140.15 163.06 24.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.005 0.431 . . . . 0.0 111.058 179.497 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -119.47 152.56 36.69 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.82 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 60.0 t -124.45 128.55 73.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-N 114.931 -1.032 . . . . 0.0 109.209 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' GLU . . . . . 0.41 ' N ' ' OE1' ' A' ' 144' ' ' GLU . 41.9 mp0 -113.87 119.64 37.99 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -139.6 99.69 3.78 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.623 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 96.64 -119.43 6.33 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -115.99 17.09 16.03 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.627 0.251 . . . . 0.0 110.621 179.519 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 73.8 mtm -141.22 158.29 44.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.579 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 50.6 p30 -128.33 164.99 21.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.223 0.535 . . . . 0.0 110.789 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -138.34 150.61 46.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.917 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 25.7 m -125.37 141.27 52.16 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 97.5 t -129.78 131.63 66.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.404 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -105.89 133.02 51.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.53 -179.609 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 69.3 tp -114.84 128.09 56.09 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.214 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 155' ' ' TYR . . . . . 0.653 ' CE1' HD12 ' A' ' 132' ' ' ILE . 85.0 m-85 -122.33 166.6 14.42 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 3.2 p -136.28 128.22 44.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.384 178.609 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 157' ' ' ILE . . . . . . . . . . . . . 41.4 mm -73.53 138.6 20.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.026 -179.45 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 127.03 -35.63 2.81 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 110.369 -1.092 . . . . 0.0 110.369 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -143.55 130.1 20.12 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 179.38 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 160' ' ' HIS . . . . . 0.57 ' ND1' ' N ' ' A' ' 161' ' ' LYS . 32.2 p80 -122.0 -140.83 0.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.232 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 161' ' ' LYS . . . . . 0.57 ' N ' ' ND1' ' A' ' 160' ' ' HIS . 9.6 mmmt 17.78 -87.95 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.484 0 O-C-N 123.882 0.739 . . . . 0.0 112.463 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 162' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 160' ' ' HIS . . . . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.633 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.4 ttm . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.7 m -65.26 142.49 58.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.512 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -138.53 119.56 14.44 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 23.0 t -131.1 81.29 66.89 Favored Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.238 -179.136 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -79.66 -12.65 13.62 Favored 'Trans proline' 0 N--CA 1.491 1.372 0 C-N-CA 122.527 2.152 . . . . 0.0 112.088 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -104.78 172.93 6.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.656 -179.593 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.7 t 64.71 61.29 1.36 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.854 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.43 165.03 33.07 Favored 'Trans proline' 0 C--N 1.308 -1.6 0 C-N-CA 122.991 2.461 . . . . 0.0 111.888 179.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -49.77 127.85 16.88 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-O 121.139 0.495 . . . . 0.0 110.112 -179.054 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.2 p -140.48 137.36 17.52 Favored Pre-proline 0 C--N 1.319 -0.721 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.31 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -73.95 163.12 37.68 Favored 'Trans proline' 0 N--CA 1.492 1.424 0 C-N-CA 122.052 1.834 . . . . 0.0 111.803 179.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.1 p -65.43 157.63 77.14 Favored Pre-proline 0 CA--C 1.535 0.384 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.236 -179.16 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_exo -57.39 148.02 74.14 Favored 'Trans proline' 0 N--CA 1.498 1.784 0 C-N-CA 121.698 1.599 . . . . 0.0 112.105 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -60.16 -17.65 42.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.035 0.445 . . . . 0.0 109.936 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -60.51 -40.78 92.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.909 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.7 t -60.85 -46.95 95.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.98 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 53.5 t -64.17 -39.44 85.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.561 179.335 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.3 mmm-85 -57.81 -48.94 78.28 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.145 -0.479 . . . . 0.0 112.018 -178.39 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 18.2 tpp85 -62.97 -37.04 85.52 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.727 -0.389 . . . . 0.0 111.374 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 89.4 mtp -57.41 -32.7 67.12 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -179.669 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.633 ' O ' HG12 ' A' ' 26' ' ' VAL . 8.3 mp -77.24 -36.36 54.61 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.9 178.071 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -61.36 -47.07 87.52 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 120.442 -0.503 . . . . 0.0 111.64 -179.44 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 32.0 pt -67.63 -36.16 75.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.256 -178.378 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.472 ' HB1' HG13 ' A' ' 98' ' ' VAL . . . -71.51 -10.95 60.56 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 179.634 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 40.0 mmtm 59.48 35.37 22.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.931 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.646 HG13 ' CD2' ' A' ' 50' ' ' PHE . 1.9 p -59.44 120.58 5.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.273 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.471 ' H ' ' HB2' ' A' ' 30' ' ' ASP . 68.3 m -109.62 165.59 11.56 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.724 179.695 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.2 pt20 -58.38 -23.3 56.61 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 121.003 -0.279 . . . . 0.0 110.917 -179.268 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 57.3 p30 -96.5 6.73 48.13 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.068 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.471 ' HB2' ' H ' ' A' ' 27' ' ' SER . 96.8 m-20 -110.25 137.03 48.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.777 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.541 HD11 ' HA ' ' A' ' 96' ' ' ALA . 1.1 pp -87.94 155.48 3.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.302 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.492 ' N ' HD12 ' A' ' 31' ' ' ILE . 97.0 t -123.82 119.61 57.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.292 179.42 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.469 ' CD1' HD13 ' A' ' 31' ' ' ILE . 2.4 m-30 -114.09 99.14 7.42 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 178.09 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.722 ' HB1' HD13 ' A' ' 42' ' ' ILE . . . -103.73 129.86 51.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.87 -179.214 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 88.9 mt -89.67 -9.56 49.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.918 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -115.43 69.72 0.26 Allowed Glycine 0 CA--C 1.528 0.87 0 C-N-CA 121.154 -0.546 . . . . 0.0 112.829 -178.621 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.471 ' SG ' ' OE1' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -87.48 -88.07 0.14 Allowed 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 178.565 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.518 ' N ' ' OE1' ' A' ' 59' ' ' GLU . . . 75.73 11.23 84.68 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 179.346 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.3 p30 177.93 -18.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.586 0.231 . . . . 0.0 111.169 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.6 -2.84 87.38 Favored Glycine 0 C--O 1.221 -0.709 0 N-CA-C 110.404 -1.078 . . . . 0.0 110.404 -179.604 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -60.27 -39.29 86.3 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.286 0.565 . . . . 0.0 110.315 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.722 HD13 ' HB1' ' A' ' 34' ' ' ALA . 17.2 tt -58.72 -43.15 87.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.202 -178.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.585 HG23 HG23 ' A' ' 42' ' ' ILE . 45.0 pt -89.46 -30.57 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -179.166 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.449 HD13 ' OD1' ' A' ' 75' ' ' ASN . 49.9 mt -60.96 -41.09 87.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 96.8 m -65.42 -22.52 66.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.072 0.463 . . . . 0.0 110.378 179.642 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.687 ' HB1' HG11 ' A' ' 52' ' ' VAL . . . -77.74 -64.93 1.04 Allowed 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 120.141 -0.623 . . . . 0.0 109.804 179.127 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.666 ' HB1' ' HD3' ' A' ' 80' ' ' ARG . . . -59.7 -38.87 82.8 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.239 -179.217 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -63.71 -46.21 86.48 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 121.003 -0.279 . . . . 0.0 111.407 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -104.86 -53.21 2.72 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -178.376 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.646 ' CD2' HG13 ' A' ' 26' ' ' VAL . 45.2 m-85 -72.92 -6.12 43.1 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -178.495 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 57.4 t30 49.57 33.83 6.33 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.465 -0.494 . . . . 0.0 111.368 178.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.687 HG11 ' HB1' ' A' ' 46' ' ' ALA . 11.5 m -44.85 168.33 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 CA-C-O 121.184 0.516 . . . . 0.0 110.606 -179.157 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -82.84 -50.32 8.76 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.645 178.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -141.83 124.38 15.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.718 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.636 ' HB2' HG21 ' A' ' 52' ' ' VAL . . . -120.34 128.28 53.12 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 121.024 0.44 . . . . 0.0 110.601 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 71.9 t -131.71 130.21 61.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.851 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.412 ' C ' ' SG ' ' A' ' 37' ' ' CYS . . . -113.53 106.51 1.78 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.015 -1.234 . . . . 0.0 110.015 179.005 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.417 ' O ' ' SG ' ' A' ' 37' ' ' CYS . 96.6 t -89.05 136.84 22.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 C-N-CA 120.269 -0.572 . . . . 0.0 110.627 -179.565 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.518 ' OE1' ' N ' ' A' ' 38' ' ' GLY . 4.2 tp10 -146.45 -150.95 0.36 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.041 179.716 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.602 ' O ' HG23 ' A' ' 60' ' ' ILE . 4.4 tt 169.69 93.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 178.338 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.534 ' OD1' ' N ' ' A' ' 65' ' ' ILE . 29.3 p30 -150.32 179.16 8.35 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -179.408 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.56 ' O ' HG22 ' A' ' 65' ' ' ILE . 98.0 m-20 -105.71 -69.17 0.83 Allowed 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.68 -0.408 . . . . 0.0 112.066 -179.206 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -69.76 -39.48 76.68 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -178.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 96.3 mtm-85 -77.71 -7.36 56.39 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.452 -178.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.56 HG22 ' O ' ' A' ' 62' ' ' ASP . 15.2 tt -60.11 -39.3 80.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 120.421 -0.512 . . . . 0.0 110.993 -179.199 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.468 ' N ' ' CG2' ' A' ' 65' ' ' ILE . 8.1 ptm180 -78.29 -27.99 47.44 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.066 -179.74 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -61.45 -47.42 85.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.973 -179.151 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.594 ' HB1' HG21 ' A' ' 83' ' ' ILE . . . -60.6 -40.9 93.5 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 121.09 -0.244 . . . . 0.0 111.617 -179.137 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 51.4 mt -61.37 -41.99 97.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.285 0.564 . . . . 0.0 109.882 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.67 -38.87 92.04 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.816 -179.206 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -60.09 -45.52 92.66 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.143 -0.623 . . . . 0.0 110.843 -178.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.5 mp -54.67 -45.86 72.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.418 -179.172 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -67.11 -42.9 83.73 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.371 178.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -57.03 -39.19 74.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.415 -178.619 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.449 ' OD1' HD13 ' A' ' 44' ' ' ILE . 27.6 m120 -93.23 4.36 54.13 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.11 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 48.47 43.4 27.68 Favored Glycine 0 CA--C 1.522 0.5 0 C-N-CA 120.953 -0.641 . . . . 0.0 111.668 177.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.6 m -104.05 15.11 6.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.834 -179.636 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.9 p -61.64 130.29 45.18 Favored 'General case' 0 CA--C 1.51 -0.576 0 C-N-CA 120.352 -0.539 . . . . 0.0 111.683 -179.333 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 110.31 -16.67 29.48 Favored Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 109.883 -1.287 . . . . 0.0 109.883 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.666 ' HD3' ' HB1' ' A' ' 47' ' ' ALA . 13.8 ptp180 -130.06 -21.23 3.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.564 -0.318 . . . . 0.0 110.209 178.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -125.72 134.15 51.88 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.121 179.51 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 91.8 p -149.29 166.43 28.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.636 -179.453 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.594 HG21 ' HB1' ' A' ' 68' ' ' ALA . 0.0 OUTLIER -130.97 139.55 50.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 179.852 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 70.6 t -129.66 133.17 65.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.679 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.2 ptmt -95.69 153.1 17.9 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.125 179.283 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 132.91 -176.21 19.64 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 64.1 t-20 -88.07 125.17 34.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.875 0.369 . . . . 0.0 110.477 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -49.26 -27.73 4.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.342 -179.55 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -61.57 -49.24 77.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.27 0.557 . . . . 0.0 109.871 178.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -65.19 -39.92 93.51 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 89.1 t -70.94 131.41 34.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.758 -179.459 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.445 ' OD1' ' O ' ' A' ' 92' ' ' ASP . 46.9 p-10 -88.11 124.83 34.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.432 179.551 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 47.5 pt -118.09 14.56 7.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.127 -179.618 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' A' ' 118' ' ' GLU . 91.3 p -60.53 -27.74 67.86 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.534 -0.466 . . . . 0.0 110.747 -179.588 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -73.73 -20.39 60.53 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.297 179.596 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.541 ' HA ' HD11 ' A' ' 31' ' ' ILE . . . -70.96 136.22 48.34 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -178.596 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.866 HG23 HG23 ' A' ' 98' ' ' VAL . 14.2 t -98.78 -28.23 13.59 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.322 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.866 HG23 HG23 ' A' ' 97' ' ' THR . 97.1 t -127.81 127.87 68.69 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.978 179.336 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 62.6 t -133.12 140.6 46.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.175 0.512 . . . . 0.0 111.088 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 69.1 p -131.14 156.74 44.77 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.443 -0.798 . . . . 0.0 110.079 179.305 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 99.5 mtp -130.31 139.91 50.69 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.823 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -148.83 86.83 1.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.422 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 60.2 tp -142.61 125.0 15.59 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.092 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 92.4 mt -63.29 -40.48 97.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.767 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 69.7 p -83.39 158.86 21.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.918 0.39 . . . . 0.0 110.942 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 56.8 p30 -146.87 11.91 1.09 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.555 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.5 p -61.54 -30.12 47.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.926 -179.498 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -68.96 151.39 46.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.647 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -60.06 143.01 53.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.057 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 89.3 mmm -98.96 -55.67 2.65 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.393 -179.675 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 2.8 mm? 63.01 72.07 0.5 Allowed 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 121.163 0.506 . . . . 0.0 110.911 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.626 ' N ' ' CD ' ' A' ' 113' ' ' PRO . 63.9 mmtt -68.62 -37.58 10.38 Favored Pre-proline 0 CA--C 1.533 0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.627 179.375 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 112' ' ' LYS . 41.7 Cg_exo -58.44 -29.07 87.38 Favored 'Trans proline' 0 N--CA 1.5 1.879 0 C-N-CA 122.397 2.065 . . . . 0.0 112.481 -179.22 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 47.7 tptt -61.53 -38.1 86.16 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.102 0.477 . . . . 0.0 109.834 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 96.1 mt -60.57 -35.67 76.64 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.969 -179.454 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.522 ' OE2' ' ND1' ' A' ' 160' ' ' HIS . 99.1 mt-10 -61.23 -26.43 67.74 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.981 -179.17 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -96.9 -37.77 10.09 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.666 -0.414 . . . . 0.0 111.058 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.401 ' O ' ' CB ' ' A' ' 94' ' ' SER . 77.9 mm-40 -74.36 -51.75 14.18 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.681 -0.408 . . . . 0.0 111.543 -179.438 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.429 HD13 HG21 ' A' ' 123' ' ' THR . 86.0 mt -86.03 133.56 33.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.105 0.479 . . . . 0.0 110.894 -179.207 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt -72.96 151.62 90.71 Favored Pre-proline 0 C--N 1.328 -0.364 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.081 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -58.56 142.7 98.44 Favored 'Trans proline' 0 C--N 1.307 -1.614 0 C-N-CA 121.323 1.349 . . . . 0.0 111.409 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 98.28 -3.54 59.92 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 -179.449 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' THR . . . . . 0.429 HG21 HD13 ' A' ' 119' ' ' LEU . 3.7 m -72.7 147.34 45.77 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 178.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -102.58 129.37 49.12 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 120.685 0.279 . . . . 0.0 110.518 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 57.9 t -124.07 128.9 74.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.731 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 87.0 t -119.2 123.38 71.24 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.075 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.428 ' O ' ' O ' ' A' ' 128' ' ' HIS . 40.9 t -100.86 146.55 27.18 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.908 0.385 . . . . 0.0 110.643 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' HIS . . . . . 0.512 ' CG ' ' N ' ' A' ' 129' ' ' GLU . 21.5 t-160 -49.32 -105.52 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.881 -179.202 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.512 ' N ' ' CG ' ' A' ' 128' ' ' HIS . 24.5 pt-20 -110.21 -21.81 12.07 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.423 -179.464 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -80.05 133.61 36.14 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.788 -179.409 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -81.91 163.24 22.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.409 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 70.6 mt -94.96 118.73 41.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.103 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 79.0 ttt-85 -82.08 140.83 33.63 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 178.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 90.8 -19.82 42.86 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' TRP . . . . . 0.468 ' CZ3' ' CE2' ' A' ' 155' ' ' TYR . 36.2 m0 -114.5 159.02 20.84 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.044 0.45 . . . . 0.0 110.938 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -108.8 117.06 54.86 Favored Pre-proline 0 CA--C 1.537 0.451 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.05 179.341 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.31 153.26 61.62 Favored 'Trans proline' 0 N--CA 1.493 1.462 0 C-N-CA 121.435 1.423 . . . . 0.0 111.716 -179.566 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 47.9 tptt -84.69 -48.03 9.87 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.766 -0.373 . . . . 0.0 110.687 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -138.22 126.12 22.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.872 -179.435 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 62.4 t -127.94 125.59 65.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.54 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.401 HD13 HG21 ' A' ' 141' ' ' ILE . 25.8 pt -140.58 164.7 21.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 121.011 0.434 . . . . 0.0 111.15 179.742 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 20.3 mtmt -121.41 150.95 40.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.645 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 61.6 t -125.94 130.83 72.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.536 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 11.1 pm0 -114.88 125.82 54.09 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.211 0.529 . . . . 0.0 111.149 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -143.39 100.03 3.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.778 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 93.75 -115.65 5.02 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 33.5 p-10 -118.98 14.33 13.2 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.883 0.373 . . . . 0.0 111.004 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 64.8 mtt -140.09 157.01 46.31 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.16 179.335 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 51.5 p30 -128.9 167.59 17.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.157 0.503 . . . . 0.0 110.858 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -138.15 147.75 44.2 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.392 -179.337 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 63.6 m -123.45 140.17 53.28 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 63.8 t -130.37 132.38 64.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.762 0.315 . . . . 0.0 110.614 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -105.94 132.29 52.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.714 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 56.6 tp -110.42 135.23 51.43 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.34 -0.845 . . . . 0.0 108.734 179.583 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 155' ' ' TYR . . . . . 0.511 ' CG ' ' N ' ' A' ' 156' ' ' VAL . 75.5 t80 -138.19 158.51 44.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.573 0.702 . . . . 0.0 111.045 -179.782 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 156' ' ' VAL . . . . . 0.511 ' N ' ' CG ' ' A' ' 155' ' ' TYR . 65.7 t -128.1 126.69 66.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 114.587 -1.188 . . . . 0.0 111.089 179.728 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 157' ' ' ILE . . . . . . . . . . . . . 47.2 mm -68.82 129.77 33.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.81 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 140.3 -36.18 1.82 Allowed Glycine 0 CA--C 1.527 0.796 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 159' ' ' GLU . . . . . 0.444 ' O ' ' OH ' ' A' ' 155' ' ' TYR . 4.0 pt-20 -136.59 100.04 4.23 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.264 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 160' ' ' HIS . . . . . 0.522 ' ND1' ' OE2' ' A' ' 116' ' ' GLU . 0.0 OUTLIER -123.92 116.2 22.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.356 -178.89 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 175.45 101.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.532 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.541 0 CA-C-O 117.921 -1.038 . . . . 0.0 110.531 -179.999 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.5 mtm . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.8 t -61.11 -42.69 98.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.676 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -124.32 146.7 48.65 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.505 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.578 HG22 ' O ' ' A' ' 4' ' ' VAL . 7.3 p -131.01 70.48 82.62 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.603 -179.611 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.63 52.22 3.59 Favored 'Trans proline' 0 C--N 1.307 -1.607 0 C-N-CA 122.469 2.113 . . . . 0.0 112.068 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -158.43 109.81 2.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.569 -0.742 . . . . 0.0 109.648 179.213 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 28.7 m -138.16 150.15 66.04 Favored Pre-proline 0 CA--C 1.533 0.315 0 C-N-CA 120.755 -0.378 . . . . 0.0 111.324 -179.375 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -73.51 178.4 6.74 Favored 'Trans proline' 0 N--CA 1.494 1.559 0 C-N-CA 122.722 2.282 . . . . 0.0 111.531 178.634 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -47.39 146.08 2.18 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.636 ' O ' HG23 ' A' ' 10' ' ' VAL . 30.3 m -126.78 119.37 22.65 Favored Pre-proline 0 CA--C 1.536 0.415 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.308 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.651 ' CB ' HH22 ' A' ' 41' ' ' ARG . 51.8 Cg_exo -53.96 151.9 25.49 Favored 'Trans proline' 0 N--CA 1.494 1.543 0 C-N-CA 121.264 1.309 . . . . 0.0 111.015 178.605 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 42.1 p -60.14 155.08 47.4 Favored Pre-proline 0 CA--C 1.534 0.362 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.733 -178.563 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -57.54 150.43 60.5 Favored 'Trans proline' 0 N--CA 1.499 1.842 0 C-N-CA 121.965 1.777 . . . . 0.0 112.374 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.455 ' O ' HG12 ' A' ' 17' ' ' VAL . 22.2 pm0 -56.95 -13.78 2.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.373 0.606 . . . . 0.0 109.964 179.402 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -59.34 -38.78 81.23 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.274 -0.875 . . . . 0.0 110.681 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 56.6 t -59.71 -47.48 91.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 121.016 -0.274 . . . . 0.0 111.58 -178.73 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.455 HG12 ' O ' ' A' ' 14' ' ' GLU . 7.1 p -69.6 -30.3 44.62 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.715 179.726 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.519 ' NH2' ' OD2' ' A' ' 49' ' ' ASP . 7.9 mmm180 -61.89 -42.13 98.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.961 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 -67.14 -39.32 86.56 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.387 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 66.7 mtt -62.66 -37.09 85.02 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.191 0.519 . . . . 0.0 110.599 -179.586 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 85.8 mt -70.38 -40.32 74.05 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.318 -0.855 . . . . 0.0 112.028 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -66.0 -44.06 85.91 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -179.105 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.442 ' HB ' HD22 ' A' ' 154' ' ' LEU . 38.2 pt -67.98 -35.11 70.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.011 -178.682 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.45 ' HB1' HG13 ' A' ' 98' ' ' VAL . . . -68.16 -10.35 53.57 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.478 -179.416 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? 68.36 50.96 0.7 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.882 0.848 . . . . 0.0 110.05 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.463 HG22 HG11 ' A' ' 98' ' ' VAL . 82.9 t -84.27 112.34 21.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.253 179.511 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.474 ' H ' ' HB2' ' A' ' 30' ' ' ASP . 69.5 m -111.76 164.79 12.67 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.261 -0.882 . . . . 0.0 109.639 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -58.65 -17.29 21.1 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.616 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -100.28 -1.68 35.67 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.685 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.474 ' HB2' ' H ' ' A' ' 27' ' ' SER . 97.1 m-20 -105.83 140.39 38.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.818 0.342 . . . . 0.0 110.811 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.611 HD11 ' HA ' ' A' ' 96' ' ' ALA . 1.2 pp -89.76 158.19 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.452 179.719 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.502 ' N ' HD12 ' A' ' 31' ' ' ILE . 92.1 t -125.83 119.91 55.93 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-O 120.954 0.406 . . . . 0.0 111.326 179.26 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.452 ' CD1' HD13 ' A' ' 31' ' ' ILE . 2.1 m-30 -112.67 120.82 42.84 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 177.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.483 ' HB1' HD13 ' A' ' 42' ' ' ILE . . . -142.03 146.09 35.14 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.654 -0.418 . . . . 0.0 111.217 -178.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.492 HD12 ' H ' ' A' ' 35' ' ' LEU . 0.6 OUTLIER -110.53 8.54 23.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.084 179.79 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.461 ' O ' ' O ' ' A' ' 37' ' ' CYS . . . -92.77 11.13 72.78 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.096 -0.801 . . . . 0.0 111.096 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.591 ' SG ' ' N ' ' A' ' 40' ' ' GLY . 24.8 t -47.25 -102.84 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.498 0.189 . . . . 0.0 111.041 -179.397 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.557 ' N ' ' SG ' ' A' ' 37' ' ' CYS . . . 76.8 8.33 86.44 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.441 -1.063 . . . . 0.0 110.441 -179.573 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.44 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 4.3 t0 176.12 -20.09 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.841 0.353 . . . . 0.0 110.224 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.591 ' N ' ' SG ' ' A' ' 37' ' ' CYS . . . 92.44 -6.11 77.76 Favored Glycine 0 C--O 1.22 -0.74 0 N-CA-C 110.693 -0.963 . . . . 0.0 110.693 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.651 HH22 ' CB ' ' A' ' 11' ' ' PRO . 17.8 ptm180 -59.14 -20.51 54.36 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.834 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.637 HG23 HG23 ' A' ' 43' ' ' ILE . 16.8 tt -76.39 -43.39 36.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.637 HG23 HG23 ' A' ' 42' ' ' ILE . 32.6 pt -90.37 -29.11 4.91 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -179.348 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.487 HD13 ' OD1' ' A' ' 71' ' ' ASN . 70.5 mt -61.84 -41.96 92.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 111.547 0.202 . . . . 0.0 111.547 179.627 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 91.8 m -64.71 -24.15 67.48 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.209 0.528 . . . . 0.0 109.962 179.231 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.714 ' HB1' HG11 ' A' ' 52' ' ' VAL . . . -74.35 -66.45 0.73 Allowed 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.738 179.041 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.44 -39.65 84.23 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.987 -178.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -63.46 -46.01 88.19 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.574 -0.45 . . . . 0.0 111.483 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.519 ' OD2' ' NH2' ' A' ' 18' ' ' ARG . 37.2 t70 -104.86 -52.74 2.8 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -178.354 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.563 ' N ' ' O ' ' A' ' 46' ' ' ALA . 50.9 m-85 -74.75 -4.93 40.5 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -178.082 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.41 ' OD1' ' O ' ' A' ' 51' ' ' ASN . 47.9 t-20 49.65 36.33 10.43 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 178.376 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.778 HG21 ' HB2' ' A' ' 55' ' ' ALA . 2.9 m -58.29 127.99 18.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.338 0.59 . . . . 0.0 111.183 -179.304 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -49.61 -46.42 49.25 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.635 -179.006 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -138.78 124.37 19.57 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.534 -0.466 . . . . 0.0 110.605 -178.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.778 ' HB2' HG21 ' A' ' 52' ' ' VAL . . . -127.24 127.54 44.58 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.9 0.381 . . . . 0.0 110.044 179.668 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 76.6 t -131.19 133.47 62.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.907 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -115.17 130.8 9.36 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.331 -1.107 . . . . 0.0 110.331 179.19 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 81.4 t -97.31 120.33 46.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -130.63 -166.03 1.63 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.865 -179.461 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.651 ' O ' HG23 ' A' ' 60' ' ' ILE . 6.3 tt 169.72 89.59 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 178.289 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -150.4 -177.01 5.71 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.55 ' O ' HG22 ' A' ' 65' ' ' ILE . 98.5 m-20 -108.59 -65.73 1.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.26 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -71.04 -38.82 72.55 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 111.992 0.368 . . . . 0.0 111.992 -179.142 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 84.1 mtp180 -80.57 -7.33 59.2 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.787 -178.489 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.55 HG22 ' O ' ' A' ' 62' ' ' ASP . 14.1 tt -63.21 -38.69 82.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 120.224 -0.59 . . . . 0.0 111.005 -179.173 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.455 ' N ' ' CG2' ' A' ' 65' ' ' ILE . 37.3 ptt85 -80.84 -27.93 36.28 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.791 -179.604 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -61.65 -47.63 84.51 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.378 -179.259 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.95 -41.08 95.63 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -178.668 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.451 HD23 HD11 ' A' ' 83' ' ' ILE . 32.8 mt -60.58 -41.16 94.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.007 0.432 . . . . 0.0 110.467 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.61 -38.87 92.77 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.405 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.487 ' OD1' HD13 ' A' ' 44' ' ' ILE . 52.8 t-20 -64.16 -22.94 67.13 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -178.42 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.6 mp -71.48 -47.88 56.15 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 C-N-CA 120.043 -0.663 . . . . 0.0 109.872 178.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -65.49 -38.47 89.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.608 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -57.13 -40.02 76.31 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.227 -178.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 26.1 m120 -93.58 3.29 55.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 49.7 44.04 38.34 Favored Glycine 0 CA--C 1.525 0.667 0 C-N-CA 121.225 -0.512 . . . . 0.0 112.028 178.135 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.7 m -107.82 15.79 7.54 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.371 0 CA-C-N 117.037 0.418 . . . . 0.0 111.512 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.9 p -46.89 156.41 0.2 Allowed 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 121.823 0.82 . . . . 0.0 111.289 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 75.66 -4.02 46.16 Favored Glycine 0 N--CA 1.445 -0.751 0 CA-C-N 114.186 -1.37 . . . . 0.0 111.182 178.457 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.599 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 79.3 mtt-85 -125.09 -31.05 3.14 Favored 'General case' 0 CA--C 1.52 -0.18 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 179.328 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -117.78 130.32 56.22 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.536 -179.346 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 62.7 m -139.68 159.35 42.37 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.132 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.451 HD11 HD23 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -128.17 136.52 59.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.546 179.358 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 85.3 t -128.19 131.68 69.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.673 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.35 150.8 19.87 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.336 179.426 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 135.91 -165.61 24.81 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.796 -0.921 . . . . 0.0 110.796 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -100.98 128.44 47.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.918 0.39 . . . . 0.0 110.668 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -49.03 -30.51 6.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.308 -179.479 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -64.69 -45.9 84.66 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.613 179.14 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -61.87 -40.46 95.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.428 -0.805 . . . . 0.0 112.38 -178.515 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.499 HG22 ' N ' ' A' ' 92' ' ' ASP . 11.1 p -86.07 157.68 3.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.9 -179.474 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.499 ' N ' HG22 ' A' ' 91' ' ' VAL . 97.8 m-20 -102.9 130.92 50.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.754 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 37.5 pt -117.68 14.63 7.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.99 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 93.7 p -60.26 -25.35 65.63 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.584 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.63 -20.12 61.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.386 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.611 ' HA ' HD11 ' A' ' 31' ' ' ILE . . . -67.16 128.09 35.08 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 -178.005 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.878 HG23 HG23 ' A' ' 98' ' ' VAL . 6.4 t -95.0 -25.85 16.33 Favored 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 178.738 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.878 HG23 HG23 ' A' ' 97' ' ' THR . 97.3 t -132.76 129.98 58.71 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.244 179.446 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 97.0 t -132.78 140.59 47.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 121.095 0.474 . . . . 0.0 110.943 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 65.9 p -133.96 158.65 42.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.431 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 65.8 mtt -131.56 149.4 52.52 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.7 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -135.92 139.67 43.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.976 -0.557 . . . . 0.0 109.989 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.441 ' H ' ' CD2' ' A' ' 128' ' ' HIS . 59.8 tp -51.26 122.45 7.79 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.063 -179.554 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 59.8 tp -161.25 -56.9 0.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.141 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 90.9 m -119.79 131.33 55.3 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.43 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -60.65 -40.51 92.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.181 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 82.2 t -104.93 121.0 56.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.967 0.413 . . . . 0.0 111.032 -179.354 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -163.26 138.92 6.74 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.43 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 54.45 58.9 4.51 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.794 -0.363 . . . . 0.0 110.436 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 7.9 mmt -41.09 -84.2 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.921 -178.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 7.7 mp -55.23 119.01 4.89 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.591 -178.587 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.544 ' N ' ' CD ' ' A' ' 113' ' ' PRO . 96.0 mttt -72.71 -38.19 4.77 Favored Pre-proline 0 CA--C 1.54 0.572 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.914 179.273 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.544 ' CD ' ' N ' ' A' ' 112' ' ' LYS . 86.2 Cg_endo -78.09 -5.84 15.41 Favored 'Trans proline' 0 N--CA 1.494 1.559 0 C-N-CA 122.108 1.872 . . . . 0.0 113.689 -177.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -61.7 -39.93 93.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.959 0.409 . . . . 0.0 110.499 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 95.7 mt -61.07 -35.8 77.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.792 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -61.56 -24.6 66.76 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.04 -179.551 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -97.57 -38.68 9.46 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.561 -0.455 . . . . 0.0 110.952 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -74.98 -51.17 14.33 Favored 'General case' 0 C--N 1.333 -0.136 0 C-N-CA 120.773 -0.371 . . . . 0.0 111.458 -179.454 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.732 HD23 HG21 ' A' ' 123' ' ' THR . 6.4 mp -82.79 132.11 35.18 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -71.4 151.86 94.11 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 116.34 -0.391 . . . . 0.0 109.96 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_endo -58.03 140.39 93.85 Favored 'Trans proline' 0 C--N 1.313 -1.335 0 C-N-CA 121.516 1.477 . . . . 0.0 111.369 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' GLY . . . . . 0.53 ' O ' ' NH2' ' A' ' 124' ' ' ARG . . . 101.74 -6.06 54.49 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.567 -1.013 . . . . 0.0 110.567 -179.157 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' THR . . . . . 0.732 HG21 HD23 ' A' ' 119' ' ' LEU . 5.3 m -72.74 142.71 48.16 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 178.791 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.53 ' NH2' ' O ' ' A' ' 122' ' ' GLY . 11.6 mpt_? -97.78 130.58 44.71 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.965 0.412 . . . . 0.0 110.889 -179.588 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 59.2 t -121.66 126.53 74.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.73 178.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 59.5 t -121.2 124.06 71.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.732 -179.422 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 66.6 m -98.73 154.94 17.6 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.555 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' HIS . . . . . 0.49 ' ND1' ' N ' ' A' ' 129' ' ' GLU . 60.7 t-80 -63.01 -100.28 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.471 -179.453 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.49 ' N ' ' ND1' ' A' ' 128' ' ' HIS . 24.2 pt-20 -112.57 -19.55 12.05 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.747 0.308 . . . . 0.0 111.004 -179.755 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -85.97 130.61 34.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.014 -179.151 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -81.07 158.15 25.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.184 179.73 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 73.5 mt -93.98 117.79 38.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 109.83 -0.434 . . . . 0.0 109.83 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -74.13 139.75 44.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.074 179.421 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 89.26 -27.49 7.57 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.296 -0.722 . . . . 0.0 111.296 179.09 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 12.8 m0 -95.95 144.17 26.49 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.033 0.444 . . . . 0.0 111.137 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -99.29 110.98 60.17 Favored Pre-proline 0 CA--C 1.537 0.464 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.15 179.602 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -72.33 150.08 52.0 Favored 'Trans proline' 0 N--CA 1.495 1.566 0 C-N-CA 121.62 1.546 . . . . 0.0 112.256 -179.476 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -86.75 -48.5 8.19 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.654 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -130.65 130.4 43.88 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.899 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 65.7 t -130.41 123.8 56.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.141 179.154 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 22.6 pt -140.81 164.0 21.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 120.513 -0.475 . . . . 0.0 111.439 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 39.0 mtpt -120.46 151.13 39.74 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.235 -0.893 . . . . 0.0 112.02 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 60.2 t -124.92 129.86 73.38 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 114.818 -1.083 . . . . 0.0 109.265 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' GLU . . . . . 0.437 ' O ' ' OD1' ' A' ' 145' ' ' ASP . 21.4 pt-20 -117.01 123.07 45.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.121 0.486 . . . . 0.0 110.998 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' A' ' 144' ' ' GLU . 98.9 m-20 -139.45 101.01 4.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.283 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 94.93 -117.08 5.5 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -118.89 17.05 13.45 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-O 120.701 0.286 . . . . 0.0 110.829 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 93.3 mtp -140.36 158.2 44.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.172 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 49.8 p30 -130.45 166.02 21.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.292 0.567 . . . . 0.0 111.145 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -137.6 149.89 47.01 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.9 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.444 ' O ' ' O ' ' A' ' 128' ' ' HIS . 30.0 m -122.32 140.09 53.05 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.455 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 70.7 t -128.61 132.45 67.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.715 0.293 . . . . 0.0 110.94 -179.247 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -106.93 129.73 54.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.119 179.52 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.442 HD22 ' HB ' ' A' ' 23' ' ' ILE . 66.7 tp -114.88 127.4 55.68 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.413 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 155' ' ' TYR . . . . . 0.478 ' CZ ' ' O ' ' A' ' 156' ' ' VAL . 69.3 t80 -143.92 134.07 24.3 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.386 -0.526 . . . . 0.0 111.815 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 156' ' ' VAL . . . . . 0.478 ' O ' ' CZ ' ' A' ' 155' ' ' TYR . 7.1 p -98.56 138.71 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.862 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 157' ' ' ILE . . . . . . . . . . . . . 49.0 mm -72.55 134.32 30.05 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.62 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 143.65 -27.03 2.09 Favored Glycine 0 CA--C 1.527 0.784 0 C-N-CA 121.038 -0.601 . . . . 0.0 111.664 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 159' ' ' GLU . . . . . 0.447 ' O ' ' OH ' ' A' ' 155' ' ' TYR . 53.1 tp10 -148.51 100.81 3.17 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 179.488 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 24.5 p80 -130.72 136.16 48.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.616 -179.634 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 46.4 mtpt 73.08 144.31 0.07 Allowed 'General case' 0 N--CA 1.462 0.174 0 O-C-N 123.686 0.616 . . . . 0.0 109.609 -178.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.555 -179.588 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.402 ' C ' ' H ' ' A' ' 3' ' ' TYR . 15.0 mmt . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.6 m 58.33 7.77 0.73 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.639 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.402 ' H ' ' C ' ' A' ' 1' ' ' MET . 64.2 m-85 -136.92 151.55 49.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.159 179.288 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.2 t 52.56 61.59 11.48 Favored Pre-proline 0 C--N 1.329 -0.316 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.474 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.47 153.12 70.68 Favored 'Trans proline' 0 C--N 1.308 -1.569 0 C-N-CA 122.516 2.144 . . . . 0.0 111.988 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -83.5 72.89 10.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.044 -179.398 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.667 ' O ' HG23 ' A' ' 7' ' ' VAL . 33.0 m -132.54 71.8 78.57 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 179.455 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -58.24 142.93 97.69 Favored 'Trans proline' 0 N--CA 1.496 1.653 0 C-N-CA 122.765 2.31 . . . . 0.0 112.561 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 43.5 t80 -134.81 129.48 34.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.254 179.526 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.636 HG13 ' O ' ' A' ' 10' ' ' VAL . 11.7 p -153.77 117.13 2.68 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.096 179.472 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -78.16 131.31 10.76 Favored 'Trans proline' 0 N--CA 1.49 1.297 0 C-N-CA 121.47 1.447 . . . . 0.0 111.774 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.6 p -42.55 106.75 0.48 Allowed Pre-proline 0 CA--C 1.54 0.579 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -178.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -55.65 174.02 0.32 Allowed 'Trans proline' 0 N--CA 1.496 1.649 0 C-N-CA 122.31 2.007 . . . . 0.0 112.103 178.486 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -64.02 -22.77 67.07 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.074 0.464 . . . . 0.0 110.293 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.0 -34.98 77.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.491 0.662 . . . . 0.0 110.103 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 69.5 t -62.77 -44.84 99.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.859 -179.376 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.97 -27.94 39.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 C-N-CA 120.454 -0.499 . . . . 0.0 110.628 -179.464 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.526 ' NH2' ' OD2' ' A' ' 49' ' ' ASP . 10.1 mmm180 -60.72 -41.31 95.05 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.859 -179.785 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.6 mmt-85 -68.71 -37.76 79.76 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.831 178.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 96.1 mtp -61.82 -37.09 83.14 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.523 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.831 ' O ' HG12 ' A' ' 26' ' ' VAL . 85.4 mt -70.9 -40.82 71.94 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.023 179.4 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -64.16 -46.67 82.99 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 -179.131 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 37.9 pt -64.61 -35.71 75.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.989 -178.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.473 ' HB1' HG13 ' A' ' 98' ' ' VAL . . . -67.45 -10.17 48.85 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.569 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.2 tptt 64.33 27.06 13.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.651 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.831 HG12 ' O ' ' A' ' 21' ' ' LEU . 7.3 p -65.05 122.68 16.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.865 -179.718 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.438 ' H ' ' HB2' ' A' ' 30' ' ' ASP . 10.0 t -115.35 174.12 6.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.667 179.341 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -62.01 -19.67 63.09 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.177 -179.27 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -96.01 -1.64 48.53 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.228 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.438 ' HB2' ' H ' ' A' ' 27' ' ' SER . 97.0 m-20 -106.1 140.96 38.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.832 0.349 . . . . 0.0 110.923 -179.64 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.61 HD11 ' HA ' ' A' ' 96' ' ' ALA . 1.2 pp -90.21 157.31 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.769 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.509 ' N ' HD12 ' A' ' 31' ' ' ILE . 92.7 t -124.19 119.45 56.69 Favored 'Isoleucine or valine' 0 C--O 1.232 0.147 0 CA-C-O 120.904 0.383 . . . . 0.0 111.891 179.675 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.438 ' CD1' HD13 ' A' ' 31' ' ' ILE . 2.1 m-30 -112.37 106.05 14.47 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 177.613 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.574 ' HB1' HD13 ' A' ' 42' ' ' ILE . . . -125.04 142.41 51.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.072 0.463 . . . . 0.0 111.625 -178.609 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.476 HD12 ' H ' ' A' ' 35' ' ' LEU . 0.9 OUTLIER -106.36 6.32 30.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.224 179.565 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.469 ' O ' ' O ' ' A' ' 37' ' ' CYS . . . -93.81 11.96 70.15 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.521 -0.631 . . . . 0.0 111.521 -179.412 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.59 ' SG ' ' N ' ' A' ' 40' ' ' GLY . 21.4 t -44.22 -99.25 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.647 0.224 . . . . 0.0 110.77 -179.536 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.497 ' N ' ' SG ' ' A' ' 37' ' ' CYS . . . 75.87 8.94 85.11 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.544 ' OD2' ' ND2' ' A' ' 71' ' ' ASN . 0.8 OUTLIER 169.43 -16.58 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.646 0.26 . . . . 0.0 110.56 179.85 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.59 ' N ' ' SG ' ' A' ' 37' ' ' CYS . . . 93.43 -5.94 74.58 Favored Glycine 0 C--O 1.221 -0.696 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 35.9 ptt-85 -59.6 -19.9 52.11 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.914 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.601 HG23 HG23 ' A' ' 43' ' ' ILE . 14.9 tt -77.36 -43.41 30.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.601 HG23 HG23 ' A' ' 42' ' ' ILE . 34.7 pt -90.06 -26.63 5.27 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -179.207 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.527 HD13 ' OD1' ' A' ' 75' ' ' ASN . 60.6 mt -61.93 -41.89 92.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 179.342 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 99.4 m -65.68 -26.02 67.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.183 0.516 . . . . 0.0 110.289 179.447 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.729 ' HB1' HG11 ' A' ' 52' ' ' VAL . . . -73.49 -66.33 0.71 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.891 179.101 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.66 -38.85 82.57 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.632 -178.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -63.09 -45.78 90.47 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.646 -0.421 . . . . 0.0 111.23 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.526 ' OD2' ' NH2' ' A' ' 18' ' ' ARG . 63.7 t0 -105.89 -52.99 2.71 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 -178.477 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.575 ' N ' ' O ' ' A' ' 46' ' ' ALA . 50.1 m-85 -72.64 -6.06 41.67 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 -178.45 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 58.8 t30 49.88 33.65 6.8 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.555 -0.458 . . . . 0.0 111.522 178.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.809 HG21 ' HB2' ' A' ' 55' ' ' ALA . 3.3 m -53.08 129.21 13.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.349 0.595 . . . . 0.0 111.297 -178.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -48.41 -47.76 37.62 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.186 -0.916 . . . . 0.0 110.272 -178.553 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -142.19 123.09 14.43 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.506 -0.478 . . . . 0.0 110.313 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.809 ' HB2' HG21 ' A' ' 52' ' ' VAL . . . -120.22 127.48 52.47 Favored 'General case' 0 CA--C 1.52 -0.203 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 67.4 t -131.97 132.25 61.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.156 -179.552 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -106.21 132.72 11.26 Favored Glycine 0 CA--C 1.521 0.449 0 N-CA-C 109.594 -1.402 . . . . 0.0 109.594 178.55 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 61.7 t -103.73 121.19 54.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -138.34 -165.19 1.76 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.3 -179.289 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.689 ' O ' HG23 ' A' ' 60' ' ' ILE . 7.9 tt 170.99 85.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 108.482 -0.932 . . . . 0.0 108.482 178.521 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.441 ' OD1' ' O ' ' A' ' 60' ' ' ILE . 99.0 m-20 -144.58 179.29 7.38 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 -179.636 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.574 ' O ' HG22 ' A' ' 65' ' ' ILE . 98.1 m-20 -103.98 -66.82 0.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.508 -0.477 . . . . 0.0 111.232 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -70.5 -38.73 74.37 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.823 0.344 . . . . 0.0 111.834 -179.224 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 45.1 mmm-85 -77.19 -8.15 57.07 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.45 -178.441 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.574 HG22 ' O ' ' A' ' 62' ' ' ASP . 13.5 tt -64.42 -37.24 79.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 C-N-CA 120.34 -0.544 . . . . 0.0 111.498 -178.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.436 ' N ' ' CG2' ' A' ' 65' ' ' ILE . 8.0 ptm180 -81.84 -31.1 31.81 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.832 -178.644 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -61.87 -45.2 94.8 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.049 -0.661 . . . . 0.0 110.984 -179.151 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.403 ' HB1' HG21 ' A' ' 83' ' ' ILE . . . -60.77 -39.98 90.82 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 121.01 -0.276 . . . . 0.0 111.246 -179.292 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 36.6 mt -62.05 -41.27 97.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.195 0.522 . . . . 0.0 109.669 179.247 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.12 -39.25 94.14 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.705 -179.401 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.544 ' ND2' ' OD2' ' A' ' 39' ' ' ASP . 25.9 m120 -60.23 -44.87 94.84 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.215 -0.594 . . . . 0.0 110.775 -178.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.4 mp -53.39 -50.68 46.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.533 -179.392 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.6 -42.09 95.78 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.448 179.409 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 52.8 tptt -56.96 -38.06 72.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.742 -178.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.527 ' OD1' HD13 ' A' ' 44' ' ' ILE . 26.5 m120 -93.76 4.52 53.81 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.25 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 48.89 41.9 28.89 Favored Glycine 0 CA--C 1.523 0.551 0 C-N-CA 121.119 -0.563 . . . . 0.0 111.804 177.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 6.8 m -102.97 10.89 8.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.328 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.2 122.99 11.44 Favored 'General case' 0 CA--C 1.52 -0.205 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.674 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 113.68 -11.81 23.16 Favored Glycine 0 CA--C 1.519 0.312 0 N-CA-C 109.855 -1.298 . . . . 0.0 109.855 -179.477 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.627 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 36.9 mtt85 -128.88 -29.97 2.29 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 178.619 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -120.42 131.79 54.95 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.865 -179.367 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.5 t -145.15 162.39 37.18 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.911 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.403 HG21 ' HB1' ' A' ' 68' ' ' ALA . 0.0 OUTLIER -126.75 135.24 64.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.166 179.515 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 87.4 t -126.13 131.5 71.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.073 -179.037 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.96 158.82 16.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.127 179.325 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 144.18 -167.04 27.0 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.844 ' O ' HG23 ' A' ' 91' ' ' VAL . 98.5 m-20 -95.6 136.36 36.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.028 0.442 . . . . 0.0 110.692 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -56.94 -37.74 71.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.715 -178.546 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -69.36 -35.36 75.78 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.119 0.485 . . . . 0.0 110.01 179.203 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -83.75 -3.33 57.73 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.896 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.844 HG23 ' O ' ' A' ' 87' ' ' ASN . 93.8 t -105.89 127.01 61.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.807 0.337 . . . . 0.0 110.81 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -99.99 125.16 45.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.825 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 40.3 pt -115.14 20.89 6.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.985 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 92.4 p -59.73 -27.85 66.83 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.536 -178.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.25 -19.04 61.16 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.856 -0.338 . . . . 0.0 111.657 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.61 ' HA ' HD11 ' A' ' 31' ' ' ILE . . . -68.1 128.28 35.97 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -177.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.844 HG23 HG23 ' A' ' 98' ' ' VAL . 7.4 t -95.81 -26.81 15.5 Favored 'General case' 0 CA--C 1.528 0.106 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 178.527 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.844 HG23 HG23 ' A' ' 97' ' ' THR . 79.1 t -130.79 127.77 62.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.932 179.213 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 98.2 t -132.81 140.14 48.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.215 0.531 . . . . 0.0 111.246 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 74.1 p -131.41 156.01 46.31 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.078 179.154 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 62.8 tpp -129.35 124.49 34.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.764 0.316 . . . . 0.0 110.579 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -143.26 108.06 4.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.441 179.165 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 89.8 mt -127.26 146.6 50.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.59 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.652 HD12 ' N ' ' A' ' 104' ' ' LEU . 8.3 mp -62.58 -38.93 92.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.441 179.626 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 76.0 p -112.2 161.88 16.09 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.456 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -97.75 146.0 25.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.994 -179.532 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.441 HG12 ' H ' ' A' ' 109' ' ' GLU . 86.7 t -124.87 134.88 65.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.295 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -60.5 -39.66 88.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.494 -179.054 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.441 ' H ' HG12 ' A' ' 107' ' ' VAL . 15.4 tm-20 -135.68 123.22 22.14 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 121.043 0.449 . . . . 0.0 111.699 -179.637 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 50.6 mmm -142.86 -26.66 0.6 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.151 179.366 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.406 HD22 HD11 ' A' ' 115' ' ' LEU . 81.2 mt -112.64 143.89 43.06 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.925 0.393 . . . . 0.0 110.91 -179.395 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.519 ' C ' ' H ' ' A' ' 114' ' ' LYS . 23.1 mmtp -132.48 153.48 81.19 Favored Pre-proline 0 CA--C 1.535 0.39 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.806 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_exo -47.87 -7.0 0.05 OUTLIER 'Trans proline' 0 N--CA 1.495 1.562 0 C-N-CA 122.261 1.974 . . . . 0.0 112.286 178.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.519 ' H ' ' C ' ' A' ' 112' ' ' LYS . 68.6 mttm -60.8 -23.94 65.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.625 -179.562 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.406 HD11 HD22 ' A' ' 111' ' ' LEU . 96.5 mt -60.81 -36.54 79.33 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.214 0.53 . . . . 0.0 109.906 179.695 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -64.24 -22.32 66.9 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.766 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.63 -39.17 9.22 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.887 179.729 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -77.48 -52.85 8.4 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.916 -0.314 . . . . 0.0 111.262 -179.445 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.787 HD23 HG21 ' A' ' 123' ' ' THR . 7.4 mp -83.13 133.81 35.02 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.765 -0.458 . . . . 0.0 109.765 179.724 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.404 ' HG2' ' H ' ' A' ' 120' ' ' LYS . 12.3 ptpt -71.93 154.15 92.7 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.281 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_endo -60.76 142.17 96.96 Favored 'Trans proline' 0 C--N 1.311 -1.412 0 C-N-CA 121.866 1.711 . . . . 0.0 111.644 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 96.19 -4.68 65.12 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.15 -1.18 . . . . 0.0 110.15 -179.011 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' THR . . . . . 0.787 HG21 HD23 ' A' ' 119' ' ' LEU . 1.3 m -71.02 147.53 48.51 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 178.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -102.64 129.04 49.11 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.882 -179.276 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 63.2 t -123.36 129.32 74.86 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.054 178.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 57.4 t -119.34 123.1 70.64 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-O 120.595 0.236 . . . . 0.0 111.303 -179.277 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 38.4 t -99.28 143.11 29.91 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.906 0.384 . . . . 0.0 110.485 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -49.13 -103.17 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.636 -178.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -109.66 -28.8 8.66 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -178.614 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -85.14 119.82 25.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.029 0.442 . . . . 0.0 111.246 -179.282 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 19.9 pm0 -67.39 161.98 24.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.415 179.502 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.46 HD12 ' CD1' ' A' ' 155' ' ' TYR . 80.6 mt -90.06 119.77 37.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 30.7 tpt85 -74.16 139.06 44.22 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.264 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 91.75 -21.27 37.08 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.434 -0.666 . . . . 0.0 111.434 179.218 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 13.2 m0 -106.98 152.29 24.16 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.941 0.4 . . . . 0.0 111.091 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -104.94 115.84 61.77 Favored Pre-proline 0 CA--C 1.538 0.496 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.814 179.435 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -71.74 150.27 55.95 Favored 'Trans proline' 0 N--CA 1.493 1.491 0 C-N-CA 121.512 1.474 . . . . 0.0 112.145 -179.216 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -83.74 -47.47 11.14 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.667 -0.413 . . . . 0.0 109.945 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -132.61 131.57 41.57 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.645 179.318 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 66.8 t -130.15 122.88 54.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.272 179.058 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.415 HD13 HG21 ' A' ' 141' ' ' ILE . 25.0 pt -143.03 163.4 16.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 C-N-CA 120.435 -0.506 . . . . 0.0 111.36 179.802 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 26.1 mtmt -120.6 152.59 37.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.697 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 60.7 t -125.88 129.74 72.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.372 179.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -112.18 121.38 44.77 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -140.86 98.23 3.35 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.572 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 96.33 -119.06 6.17 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -117.05 16.43 15.02 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.822 0.344 . . . . 0.0 110.433 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' MET . . . . . 0.588 ' N ' ' SD ' ' A' ' 148' ' ' MET . 1.2 mpt? -139.79 155.27 47.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.401 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 54.1 p30 -124.16 164.48 19.4 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.157 0.504 . . . . 0.0 110.774 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -137.34 147.62 45.7 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.015 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 51.1 m -123.24 139.69 53.79 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 179.639 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 67.4 t -129.4 131.26 67.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.782 0.325 . . . . 0.0 110.494 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -109.2 133.48 52.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.833 -179.563 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 68.7 tp -112.75 131.28 55.74 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 155' ' ' TYR . . . . . 0.46 ' CD1' HD12 ' A' ' 132' ' ' ILE . 90.2 m-85 -125.3 160.97 28.01 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 179.619 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 66.8 t -129.67 125.37 61.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.825 179.136 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 157' ' ' ILE . . . . . . . . . . . . . 44.3 mm -69.82 133.52 31.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.645 -179.688 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 135.23 -32.23 2.59 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.224 -1.15 . . . . 0.0 110.224 -179.584 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -149.8 138.54 20.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.72 0.295 . . . . 0.0 110.363 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 14.5 p80 -168.95 140.99 2.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.65 179.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 6.4 mtmt 169.46 172.49 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.231 179.438 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.547 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.623 -179.963 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.0 mmt . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.408 -0.589 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.6 m -126.38 148.2 49.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.616 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 56.76 22.56 7.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.591 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.602 ' N ' ' CD ' ' A' ' 5' ' ' PRO . 2.1 t -65.75 -37.97 21.71 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.823 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.602 ' CD ' ' N ' ' A' ' 4' ' ' VAL . 33.8 Cg_exo -60.58 151.41 75.86 Favored 'Trans proline' 0 N--CA 1.498 1.745 0 C-N-CA 122.519 2.146 . . . . 0.0 112.211 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.469 ' O ' ' C ' ' A' ' 7' ' ' VAL . 77.3 m80 -53.38 141.71 23.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.172 -179.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.718 ' O ' HG13 ' A' ' 7' ' ' VAL . 8.0 p -22.07 88.93 0.04 OUTLIER Pre-proline 0 N--CA 1.469 0.486 0 O-C-N 124.067 0.854 . . . . 0.0 112.034 -179.337 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.417 ' N ' ' O ' ' A' ' 6' ' ' HIS . 88.3 Cg_endo -80.0 161.24 23.84 Favored 'Trans proline' 0 N--CA 1.491 1.377 0 C-N-CA 122.435 2.09 . . . . 0.0 112.417 -179.554 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -59.48 134.61 57.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.187 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.733 ' O ' HG23 ' A' ' 10' ' ' VAL . 31.5 m -118.72 104.12 47.57 Favored Pre-proline 0 CA--C 1.538 0.491 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.2 -179.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -55.14 147.94 51.7 Favored 'Trans proline' 0 N--CA 1.497 1.734 0 C-N-CA 121.775 1.65 . . . . 0.0 111.51 178.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.3 p -66.47 157.94 80.44 Favored Pre-proline 0 CA--C 1.533 0.319 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.075 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -57.42 148.26 72.96 Favored 'Trans proline' 0 N--CA 1.497 1.701 0 C-N-CA 121.739 1.626 . . . . 0.0 112.209 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.24 -20.35 58.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.703 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -59.8 -38.79 82.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.892 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 65.3 t -61.2 -46.46 96.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.06 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 53.2 t -63.68 -39.31 84.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.091 179.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.9 mmm180 -59.22 -41.78 89.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.265 -178.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.8 mmt180 -65.89 -37.62 86.6 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.24 179.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 65.5 mtt -61.66 -34.75 76.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.119 -179.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.708 ' O ' HG12 ' A' ' 26' ' ' VAL . 7.7 mp -75.03 -41.18 59.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.934 179.431 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -61.59 -45.38 94.36 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.914 0.339 . . . . 0.0 111.914 -179.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.414 HG21 HD13 ' A' ' 23' ' ' ILE . 34.3 pt -67.98 -35.83 73.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.946 -179.13 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.428 ' HB1' HG13 ' A' ' 98' ' ' VAL . . . -70.37 -10.39 58.9 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt 61.18 35.22 18.55 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.273 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.708 HG12 ' O ' ' A' ' 21' ' ' LEU . 2.1 p -62.02 119.35 5.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.056 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.431 ' H ' ' HB2' ' A' ' 30' ' ' ASP . 89.8 p -110.8 166.8 10.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.701 179.456 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -59.08 -20.49 53.91 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.771 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -95.59 -1.24 50.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.039 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.431 ' HB2' ' H ' ' A' ' 27' ' ' SER . 80.1 m-20 -106.18 140.23 39.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.855 0.36 . . . . 0.0 110.81 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.54 HD11 ' HA ' ' A' ' 96' ' ' ALA . 1.3 pp -90.96 157.95 2.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.279 179.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.456 ' N ' HD12 ' A' ' 31' ' ' ILE . 93.2 t -123.51 119.54 57.62 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 CA-C-O 121.068 0.461 . . . . 0.0 111.435 179.399 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.534 ' CZ ' ' OE2' ' A' ' 95' ' ' GLU . 2.0 m-30 -115.17 107.56 15.46 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 178.37 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -124.55 142.64 51.19 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.875 -179.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.45 HD12 ' H ' ' A' ' 35' ' ' LEU . 0.9 OUTLIER -109.31 2.98 21.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.679 179.818 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -102.42 13.83 56.78 Favored Glycine 0 CA--C 1.527 0.819 0 C-N-CA 121.158 -0.544 . . . . 0.0 111.845 -179.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.1 p -42.71 -83.96 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.534 -0.466 . . . . 0.0 110.663 -179.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.527 ' O ' ' NH1' ' A' ' 64' ' ' ARG . . . 76.26 9.63 85.65 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.564 ' CG ' HH21 ' A' ' 41' ' ' ARG . 1.0 OUTLIER 168.26 -13.67 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.699 0.285 . . . . 0.0 110.721 179.878 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 91.55 -4.85 80.04 Favored Glycine 0 C--O 1.222 -0.651 0 N-CA-C 111.558 -0.617 . . . . 0.0 111.558 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.564 HH21 ' CG ' ' A' ' 39' ' ' ASP . 32.7 ptt-85 -59.88 -21.71 61.38 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.01 -0.676 . . . . 0.0 110.207 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.589 HD13 ' O ' ' A' ' 42' ' ' ILE . 0.3 OUTLIER -74.86 -44.8 44.95 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.211 -179.609 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.581 ' HB ' ' HB1' ' A' ' 55' ' ' ALA . 35.4 pt -90.05 -29.64 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 N-CA-C 112.133 0.419 . . . . 0.0 112.133 -179.143 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 75.9 mt -62.27 -41.6 92.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 79.7 m -66.5 -22.6 66.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.096 0.474 . . . . 0.0 110.544 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.689 ' HB1' HG11 ' A' ' 52' ' ' VAL . . . -76.57 -64.89 1.01 Allowed 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.728 179.317 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.411 ' HA ' HG22 ' A' ' 52' ' ' VAL . . . -59.59 -38.35 80.97 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.287 -179.333 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -63.46 -46.22 87.24 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.336 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -106.17 -53.21 2.67 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -178.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.555 ' N ' ' O ' ' A' ' 46' ' ' ALA . 44.4 m-85 -71.75 -6.86 44.42 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -178.493 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 58.9 t30 49.73 34.23 7.17 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.629 -0.429 . . . . 0.0 111.284 178.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.689 HG11 ' HB1' ' A' ' 46' ' ' ALA . 14.1 m -43.42 162.55 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 CA-C-O 121.296 0.569 . . . . 0.0 110.913 -179.079 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -71.95 -50.61 27.51 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.129 178.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.437 ' HZ1' HG21 ' A' ' 56' ' ' VAL . 12.7 ttpp -148.73 128.49 13.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.356 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.655 ' HB2' HG21 ' A' ' 52' ' ' VAL . . . -119.34 128.22 53.9 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.015 0.435 . . . . 0.0 110.369 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.437 HG21 ' HZ1' ' A' ' 54' ' ' LYS . 80.5 t -133.85 134.99 55.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.313 -179.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -109.44 131.06 10.3 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 109.799 -1.32 . . . . 0.0 109.799 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 86.0 t -104.37 122.46 57.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.438 ' OE2' ' OD1' ' A' ' 61' ' ' ASN . 86.1 tt0 -177.0 152.47 0.91 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.675 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.613 ' O ' HG23 ' A' ' 60' ' ' ILE . 19.2 tt -135.04 118.6 24.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 178.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.692 ' H ' HD13 ' A' ' 65' ' ' ILE . 26.9 m120 -150.12 -174.16 4.65 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.481 ' O ' HG22 ' A' ' 65' ' ' ILE . 66.0 t0 -113.53 -67.12 1.02 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.775 179.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -70.86 -38.82 73.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.577 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.527 ' NH1' ' O ' ' A' ' 38' ' ' GLY . 77.4 mtp85 -80.83 -8.2 59.64 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.616 -178.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.692 HD13 ' H ' ' A' ' 61' ' ' ASN . 3.8 tp -68.14 -35.4 71.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.927 -179.272 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -81.56 -27.01 34.55 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.184 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -61.31 -48.39 81.58 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.524 -0.47 . . . . 0.0 111.122 -179.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.23 -39.67 91.17 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.456 HD23 HD11 ' A' ' 83' ' ' ILE . 78.9 mt -61.81 -41.63 98.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.237 0.541 . . . . 0.0 109.775 179.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.28 -39.26 92.33 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.7 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.76 -23.91 66.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 112.031 -178.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.409 HD11 ' CD1' ' A' ' 83' ' ' ILE . 71.1 mt -70.26 -46.57 71.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 C-N-CA 120.419 -0.513 . . . . 0.0 110.545 178.166 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.62 -38.53 89.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.625 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -56.32 -41.37 75.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.363 -178.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 65.5 m-80 -94.19 4.04 54.44 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.196 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 49.39 43.79 35.33 Favored Glycine 0 CA--C 1.526 0.729 0 C-N-CA 121.046 -0.597 . . . . 0.0 111.75 178.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 5.5 m -108.5 15.58 7.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.713 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.3 p -44.76 160.78 0.03 OUTLIER 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 121.252 0.549 . . . . 0.0 111.135 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 79.24 -30.96 2.1 Favored Glycine 0 N--CA 1.45 -0.406 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.633 178.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.556 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 32.3 mtp85 -103.63 -22.69 13.55 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.32 -179.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -122.26 132.82 54.61 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.67 -179.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.538 ' C ' HD13 ' A' ' 83' ' ' ILE . 47.3 t -148.29 164.65 33.39 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.378 -179.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.722 ' N ' HD13 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -124.94 134.86 65.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.474 . . . . 0.0 109.798 178.663 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 88.4 t -118.36 124.35 72.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.219 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -98.38 153.26 18.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.493 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 134.79 -164.13 24.71 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -99.42 129.08 45.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.819 0.342 . . . . 0.0 110.566 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -46.9 -30.94 2.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.312 -179.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -62.95 -47.09 84.72 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.218 0.532 . . . . 0.0 110.438 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -61.59 -42.12 98.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.811 -178.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 2.5 m -86.51 165.84 2.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.387 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' A' ' 92' ' ' ASP . 55.5 p-10 -126.91 143.76 51.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 42.9 pt -119.16 11.32 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.012 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 118' ' ' GLU . 91.8 p -60.37 -27.56 67.5 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.615 -179.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.534 ' OE2' ' CZ ' ' A' ' 33' ' ' TYR . 2.6 pp20? -73.13 -20.44 60.93 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.007 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.54 ' HA ' HD11 ' A' ' 31' ' ' ILE . . . -70.62 137.9 50.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.47 . . . . 0.0 112.078 -178.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.839 HG23 HG23 ' A' ' 98' ' ' VAL . 14.3 t -99.31 -27.99 13.52 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 178.348 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.839 HG23 HG23 ' A' ' 97' ' ' THR . 93.7 t -130.28 129.14 64.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.685 -0.688 . . . . 0.0 109.731 179.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.484 ' CG2' HG22 ' A' ' 125' ' ' VAL . 28.0 m -136.97 153.56 29.91 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-O 120.934 0.397 . . . . 0.0 110.857 178.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 71.7 p -135.0 158.45 44.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.886 179.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 99.4 mtp -131.6 134.25 45.84 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.935 0.398 . . . . 0.0 111.02 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -153.85 91.44 1.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.894 179.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 88.3 mt -122.75 146.53 47.43 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.684 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 91.4 mt -91.08 -3.43 57.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.947 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 92.5 m -69.08 120.96 15.74 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.281 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -64.48 -41.58 96.39 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.626 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 86.9 t -129.52 125.71 62.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.892 0.377 . . . . 0.0 111.41 -179.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 52.3 p30 -161.17 173.45 15.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.082 179.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 49.4 mp0 -77.01 135.02 38.65 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 65.8 mtt -90.8 -46.92 7.93 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.736 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 67.8 mt 61.35 45.28 8.79 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.076 0.465 . . . . 0.0 110.136 -179.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.459 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 0.1 OUTLIER -58.65 -53.64 64.25 Favored Pre-proline 0 CA--C 1.536 0.417 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.0 -179.816 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.459 ' HD2' ' N ' ' A' ' 112' ' ' LYS . 32.5 Cg_endo -63.23 -21.92 72.3 Favored 'Trans proline' 0 N--CA 1.497 1.696 0 C-N-CA 121.65 1.566 . . . . 0.0 112.846 -179.127 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -64.31 -38.56 91.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.275 0.56 . . . . 0.0 109.699 178.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 97.5 mt -60.06 -35.4 75.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.528 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -62.95 -22.77 67.03 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.601 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -97.42 -39.01 9.39 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.577 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.459 ' O ' ' CB ' ' A' ' 94' ' ' SER . 80.6 mm-40 -74.83 -52.01 12.51 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.311 -179.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.439 HD13 HG21 ' A' ' 123' ' ' THR . 88.7 mt -87.0 133.85 33.54 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.837 -178.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 34.2 mmtm -72.05 152.36 92.76 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.364 179.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -58.36 142.04 97.39 Favored 'Trans proline' 0 C--N 1.31 -1.484 0 C-N-CA 121.546 1.497 . . . . 0.0 111.62 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 98.25 -5.04 60.75 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.53 -1.028 . . . . 0.0 110.53 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . 0.439 HG21 HD13 ' A' ' 119' ' ' LEU . 5.9 m -70.81 147.57 48.78 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 178.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -102.11 127.5 49.0 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 -179.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.484 HG22 ' CG2' ' A' ' 99' ' ' VAL . 57.7 t -123.58 129.76 74.43 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 N-CA-C 110.172 -0.306 . . . . 0.0 110.172 178.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 57.5 t -121.43 124.91 72.88 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.44 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 70.7 m -101.45 154.74 18.56 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-O 120.871 0.367 . . . . 0.0 110.557 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . 0.557 ' CD2' ' H ' ' A' ' 130' ' ' PHE . 0.1 OUTLIER -59.1 -102.45 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.591 -178.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -112.89 -19.3 12.01 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.325 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.557 ' H ' ' CD2' ' A' ' 128' ' ' HIS . 9.4 t80 -87.38 120.65 28.89 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.724 -178.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -71.92 161.35 31.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.506 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.598 HD12 ' CE1' ' A' ' 155' ' ' TYR . 78.1 mt -93.23 118.89 40.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.023 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 -73.76 140.07 45.66 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 89.87 -22.88 23.03 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.317 -0.713 . . . . 0.0 111.317 179.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 12.7 m0 -106.09 150.94 25.31 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.888 0.375 . . . . 0.0 110.827 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -105.85 117.06 58.68 Favored Pre-proline 0 CA--C 1.537 0.465 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.913 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -71.58 151.72 58.84 Favored 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 121.495 1.463 . . . . 0.0 112.293 -179.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 18.2 tptp -82.89 -47.92 11.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.222 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -134.61 128.95 34.16 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.679 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 66.2 t -129.21 123.52 58.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.37 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 27.3 pt -142.01 164.36 18.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.094 0.473 . . . . 0.0 111.347 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 37.9 mtpt -122.53 153.98 38.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.694 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 57.4 t -128.89 129.83 68.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.099 -0.955 . . . . 0.0 108.998 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . 0.401 ' OE1' ' N ' ' A' ' 144' ' ' GLU . 47.4 mp0 -115.61 129.28 56.45 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.877 0.37 . . . . 0.0 110.484 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -136.56 103.26 5.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.317 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 84.35 -103.02 2.58 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -127.75 16.17 6.93 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 65.4 mtt -117.2 176.84 4.96 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.346 -178.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 30.2 p30 -154.9 149.96 26.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.881 178.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -136.92 144.29 43.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.035 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.414 ' O ' ' O ' ' A' ' 128' ' ' HIS . 32.3 m -123.25 140.09 53.37 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 99.2 t -128.24 132.14 68.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.807 0.337 . . . . 0.0 110.714 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -109.7 132.21 54.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.959 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 68.4 tp -111.37 133.29 53.79 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . 0.598 ' CE1' HD12 ' A' ' 132' ' ' ILE . 85.3 m-85 -128.74 161.04 30.66 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 179.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 63.9 t -131.04 126.53 59.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.607 178.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' ILE . . . . . . . . . . . . . 37.0 mm -71.91 136.58 25.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.631 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 127.83 -35.7 2.7 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.311 -1.115 . . . . 0.0 110.311 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -140.34 132.18 27.52 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . 0.558 ' ND1' ' N ' ' A' ' 161' ' ' LYS . 32.1 p80 -126.31 -141.35 0.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.249 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . 0.558 ' N ' ' ND1' ' A' ' 160' ' ' HIS . 10.0 mmmt 18.89 -86.69 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.481 0 O-C-N 123.828 0.705 . . . . 0.0 112.43 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 160' ' ' HIS . . . . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.562 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.0 ttt . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.5 t -151.2 -164.8 2.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.494 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -96.22 1.52 52.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.385 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 4.4 t 48.27 58.44 17.65 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.771 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -70.75 154.13 63.98 Favored 'Trans proline' 0 C--N 1.307 -1.615 0 C-N-CA 122.654 2.236 . . . . 0.0 111.857 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -66.76 136.02 54.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.029 0.443 . . . . 0.0 110.775 -179.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.2 m -74.4 150.18 87.01 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.689 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -70.73 160.59 48.93 Favored 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 122.205 1.937 . . . . 0.0 111.681 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -54.92 129.49 37.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.896 0.379 . . . . 0.0 110.587 -179.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.712 ' O ' HG23 ' A' ' 10' ' ' VAL . 31.2 m -113.72 103.71 55.29 Favored Pre-proline 0 CA--C 1.54 0.56 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.538 -179.207 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.465 ' O ' ' O ' ' A' ' 10' ' ' VAL . 31.5 Cg_exo -55.66 -142.26 0.0 OUTLIER 'Trans proline' 0 N--CA 1.498 1.75 0 C-N-CA 122.306 2.004 . . . . 0.0 112.083 178.379 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.0 p -94.74 112.24 57.27 Favored Pre-proline 0 CA--C 1.535 0.374 0 C-N-CA 120.702 -0.399 . . . . 0.0 109.987 179.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.12 160.94 39.17 Favored 'Trans proline' 0 N--CA 1.49 1.307 0 C-N-CA 121.659 1.573 . . . . 0.0 112.269 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.443 ' OE2' ' OG1' ' A' ' 45' ' ' THR . 50.3 tp10 -57.99 -21.09 43.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.798 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -58.65 -36.78 74.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.369 -179.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 67.0 t -60.83 -46.29 96.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.027 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 54.5 t -64.19 -39.4 85.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.415 178.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -58.68 -42.37 88.37 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.221 -178.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -65.44 -37.34 86.6 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.249 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 64.0 mtt -62.36 -34.95 77.69 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.124 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.413 HD21 ' HB2' ' A' ' 46' ' ' ALA . 7.6 mp -75.25 -39.6 59.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.171 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -63.3 -44.79 93.99 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -179.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 39.2 pt -67.51 -35.61 73.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 -178.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.43 -8.74 53.2 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.417 -179.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt 63.48 42.01 6.99 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.993 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.419 HG22 HG11 ' A' ' 98' ' ' VAL . 92.4 t -70.7 117.75 14.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.409 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.471 ' H ' ' HB2' ' A' ' 30' ' ' ASP . 96.3 p -113.49 166.37 11.57 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.61 179.473 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -59.33 -19.27 45.13 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.914 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -96.48 -1.69 46.81 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.155 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.471 ' HB2' ' H ' ' A' ' 27' ' ' SER . 97.6 m-20 -106.08 140.08 39.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.8 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.58 HD11 ' HA ' ' A' ' 96' ' ' ALA . 1.2 pp -91.28 158.08 2.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.444 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.497 ' N ' HD12 ' A' ' 31' ' ' ILE . 94.0 t -124.87 120.77 59.52 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.539 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.409 ' OH ' ' OE2' ' A' ' 95' ' ' GLU . 1.9 m-30 -113.2 107.12 15.47 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 177.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.639 ' HB1' HD13 ' A' ' 42' ' ' ILE . . . -121.52 138.81 54.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.791 0.329 . . . . 0.0 111.021 -179.195 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.481 HD13 ' SD ' ' A' ' 101' ' ' MET . 0.9 OUTLIER -106.65 2.5 25.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.076 0.465 . . . . 0.0 110.422 179.656 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.466 ' O ' ' O ' ' A' ' 37' ' ' CYS . . . -95.41 15.56 63.0 Favored Glycine 0 CA--C 1.526 0.741 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.502 -179.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.588 ' SG ' ' N ' ' A' ' 40' ' ' GLY . 14.8 t -45.38 -101.76 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.653 0.263 . . . . 0.0 111.046 -179.433 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.585 ' N ' ' SG ' ' A' ' 37' ' ' CYS . . . 76.63 5.7 83.56 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.584 -1.006 . . . . 0.0 110.584 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.51 ' OD1' ' N ' ' A' ' 40' ' ' GLY . 54.7 p30 -177.82 -22.06 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.772 0.32 . . . . 0.0 110.504 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.588 ' N ' ' SG ' ' A' ' 37' ' ' CYS . . . 90.12 -6.86 82.44 Favored Glycine 0 C--O 1.219 -0.806 0 N-CA-C 110.483 -1.047 . . . . 0.0 110.483 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.8 tpp85 -56.9 -31.07 64.51 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.988 0.423 . . . . 0.0 110.235 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.639 HD13 ' HB1' ' A' ' 34' ' ' ALA . 17.8 tt -66.51 -44.06 90.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.473 -179.318 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.614 HG23 HG23 ' A' ' 42' ' ' ILE . 31.9 pt -89.19 -30.39 5.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.265 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.483 HD13 ' OD1' ' A' ' 71' ' ' ASN . 72.2 mt -61.88 -42.24 93.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.443 ' OG1' ' OE2' ' A' ' 14' ' ' GLU . 75.0 m -64.92 -24.16 67.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.225 0.536 . . . . 0.0 110.15 179.553 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.725 ' HB1' HG11 ' A' ' 52' ' ' VAL . . . -74.82 -65.44 0.87 Allowed 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.605 179.124 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.12 -38.63 80.07 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.779 -0.369 . . . . 0.0 111.486 -179.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -62.72 -46.34 88.56 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.644 -0.422 . . . . 0.0 111.475 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -106.38 -51.33 2.98 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 -178.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.582 ' N ' ' O ' ' A' ' 46' ' ' ALA . 37.2 m-85 -73.17 -6.9 48.86 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.289 0.478 . . . . 0.0 112.289 -178.58 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 58.3 t30 50.55 34.08 8.97 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.61 179.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.74 HG21 ' HB2' ' A' ' 55' ' ' ALA . 3.2 m -54.07 129.24 14.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.333 0.587 . . . . 0.0 111.382 -178.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -47.07 -47.36 22.85 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.317 -178.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.1 ttpt -143.74 125.59 15.2 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.355 -0.538 . . . . 0.0 110.375 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.74 ' HB2' HG21 ' A' ' 52' ' ' VAL . . . -121.7 127.66 50.98 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 78.8 t -133.66 134.93 56.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.329 -179.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -107.2 127.61 8.88 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 109.818 -1.313 . . . . 0.0 109.818 178.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 84.4 t -98.92 119.9 47.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.538 ' OE2' ' ND2' ' A' ' 61' ' ' ASN . 87.4 tt0 -172.38 147.98 2.01 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.922 -179.418 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.677 ' O ' HG23 ' A' ' 60' ' ' ILE . 19.0 tt -132.27 112.03 18.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 178.514 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.538 ' ND2' ' OE2' ' A' ' 59' ' ' GLU . 97.3 m-20 -148.5 171.23 16.42 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.6 ' O ' HG22 ' A' ' 65' ' ' ILE . 67.6 t0 -99.72 -67.44 0.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.621 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -69.58 -39.44 77.32 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.038 0.385 . . . . 0.0 112.038 -179.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -75.11 -7.77 54.7 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.574 -178.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.6 HG22 ' O ' ' A' ' 62' ' ' ASP . 16.1 tt -62.68 -37.98 80.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 120.342 -0.543 . . . . 0.0 111.298 -179.084 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.44 ' N ' ' CG2' ' A' ' 65' ' ' ILE . 9.2 ptm180 -80.38 -28.94 37.83 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.636 -178.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -61.24 -49.64 76.28 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.46 -0.496 . . . . 0.0 111.38 -178.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.67 -41.22 97.25 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.281 0.475 . . . . 0.0 112.281 -178.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.6 mt -62.79 -41.63 99.35 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.204 0.525 . . . . 0.0 110.473 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.8 -40.03 95.66 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.789 -178.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.483 ' OD1' HD13 ' A' ' 44' ' ' ILE . 54.6 t-20 -60.42 -43.63 96.55 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.499 -178.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 76.2 mt -56.63 -46.83 82.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.952 -0.299 . . . . 0.0 111.252 -178.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -63.04 -40.42 97.67 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.029 -0.668 . . . . 0.0 109.657 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.65 -39.16 73.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.385 -179.277 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.434 ' OD1' ' OD1' ' A' ' 71' ' ' ASN . 31.6 m120 -94.09 3.33 55.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.39 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 48.88 43.35 30.54 Favored Glycine 0 CA--C 1.524 0.634 0 C-N-CA 121.051 -0.595 . . . . 0.0 111.895 178.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 4.4 m -110.34 16.54 7.83 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 116.767 0.284 . . . . 0.0 111.502 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.3 p -46.2 162.96 0.03 OUTLIER 'General case' 0 CA--C 1.517 -0.302 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.783 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 78.17 -36.23 1.73 Allowed Glycine 0 CA--C 1.522 0.509 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.351 178.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.661 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 68.0 mtt180 -97.85 -24.54 15.38 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 120.529 -0.468 . . . . 0.0 109.989 -179.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -121.08 131.86 54.52 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.229 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.486 ' C ' HD13 ' A' ' 83' ' ' ILE . 46.7 t -147.95 164.94 32.19 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.149 -179.56 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.595 ' N ' HD13 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -124.91 133.4 69.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 178.887 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 94.3 t -121.96 128.88 75.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.409 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 29.3 mtmm -98.33 151.63 20.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.924 -179.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 147.38 -165.38 28.67 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -104.36 140.39 37.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.182 0.515 . . . . 0.0 110.883 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -55.41 -43.14 74.99 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.795 -179.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -65.19 -41.51 94.48 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.531 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -69.43 -41.45 76.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.779 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 2.3 p -81.01 146.84 6.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 121.06 0.457 . . . . 0.0 111.419 -178.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -111.89 130.61 55.77 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.666 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 42.8 pt -110.22 21.02 5.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.639 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 46.9 t -57.19 -35.88 70.15 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.805 -178.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.409 ' OE2' ' OH ' ' A' ' 33' ' ' TYR . 10.2 pt-20 -67.62 -20.46 65.35 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.599 -179.439 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.58 ' HA ' HD11 ' A' ' 31' ' ' ILE . . . -69.12 134.16 48.97 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.551 0.575 . . . . 0.0 112.551 -178.323 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.845 HG23 HG23 ' A' ' 98' ' ' VAL . 8.8 t -99.0 -25.9 14.42 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.192 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.845 HG23 HG23 ' A' ' 97' ' ' THR . 98.7 t -131.39 131.04 63.22 Favored 'Isoleucine or valine' 0 C--O 1.231 0.118 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.192 179.276 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 71.3 t -133.46 142.01 42.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.693 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 67.1 p -131.89 156.53 45.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.666 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.481 ' SD ' HD13 ' A' ' 35' ' ' LEU . 97.6 mmm -129.39 137.07 50.72 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.447 179.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.589 ' O ' HD12 ' A' ' 103' ' ' LEU . 80.2 t80 -150.52 94.06 2.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.091 179.354 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.589 HD12 ' O ' ' A' ' 102' ' ' PHE . 8.2 mp -124.17 127.19 47.39 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.345 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 92.4 mt -63.67 -39.75 95.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.509 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 12.4 t -154.56 179.58 8.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.829 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 63.7 t30 57.78 45.86 18.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.165 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.456 HG21 ' CD1' ' A' ' 130' ' ' PHE . 79.1 t -62.3 -40.85 89.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 179.541 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.533 ' O ' ' N ' ' A' ' 110' ' ' MET . 29.9 m120 58.93 54.03 5.32 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.559 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -58.01 79.4 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.8 0.334 . . . . 0.0 110.237 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.533 ' N ' ' O ' ' A' ' 108' ' ' ASN . 67.9 mtt -103.96 24.72 10.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.994 -179.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.404 ' O ' ' O ' ' A' ' 110' ' ' MET . 1.0 OUTLIER 61.71 131.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.569 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -130.31 65.98 77.04 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.067 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.67 -16.41 33.72 Favored 'Trans proline' 0 N--CA 1.495 1.579 0 C-N-CA 122.481 2.121 . . . . 0.0 111.543 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -58.12 -23.88 56.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.541 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 95.9 mt -59.63 -27.86 66.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.618 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.53 ' OE2' ' CD2' ' A' ' 160' ' ' HIS . 79.5 mm-40 -68.83 -20.49 64.3 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.785 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -96.98 -37.55 10.14 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.399 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -78.04 -51.95 9.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.8 0.333 . . . . 0.0 111.261 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.459 HD13 HG21 ' A' ' 123' ' ' THR . 85.2 mt -85.42 133.88 34.09 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.335 -179.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -74.78 151.45 86.76 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.834 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -53.74 140.0 67.37 Favored 'Trans proline' 0 N--CA 1.495 1.565 0 C-N-CA 121.385 1.39 . . . . 0.0 111.925 179.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 100.74 -6.6 57.22 Favored Glycine 0 CA--C 1.519 0.313 0 N-CA-C 110.851 -0.899 . . . . 0.0 110.851 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . 0.459 HG21 HD13 ' A' ' 119' ' ' LEU . 6.5 m -70.97 144.07 50.63 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 178.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.451 ' CZ ' ' CG2' ' A' ' 98' ' ' VAL . 0.9 OUTLIER -101.58 131.44 47.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.114 0.483 . . . . 0.0 110.495 -179.703 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 64.2 t -124.28 130.09 73.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.036 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 63.3 t -118.98 122.79 70.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.148 -179.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 71.0 m -97.75 154.22 17.74 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.906 0.384 . . . . 0.0 110.475 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . 0.592 ' ND1' ' N ' ' A' ' 128' ' ' HIS . 0.0 OUTLIER -62.78 -101.47 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.952 -179.382 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -112.71 -19.11 12.16 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.687 0.28 . . . . 0.0 111.524 -179.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.456 ' CD1' HG21 ' A' ' 107' ' ' VAL . 96.4 m-85 -88.39 122.54 32.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.115 0.483 . . . . 0.0 110.941 -179.047 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -74.33 141.62 45.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.35 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.468 HD12 ' CD1' ' A' ' 155' ' ' TYR . 82.8 mt -75.75 114.82 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.331 -0.548 . . . . 0.0 109.609 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -71.47 140.42 49.99 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.835 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 91.73 -23.61 24.87 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.328 -0.709 . . . . 0.0 111.328 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 12.8 m0 -103.85 148.94 25.54 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.976 0.417 . . . . 0.0 111.374 -179.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.462 HD22 ' C ' ' A' ' 136' ' ' ASN . 0.4 OUTLIER -100.95 115.06 65.76 Favored Pre-proline 0 CA--C 1.539 0.548 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.854 179.607 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.87 149.0 52.95 Favored 'Trans proline' 0 N--CA 1.493 1.488 0 C-N-CA 121.53 1.487 . . . . 0.0 112.273 -179.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -85.33 -50.88 6.97 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -133.75 142.83 48.11 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.223 178.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -153.08 132.19 3.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.583 179.329 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 22.4 pt -140.55 167.24 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.92 0.39 . . . . 0.0 111.094 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 19.1 mtmt -118.34 150.97 38.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.14 179.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 58.9 t -126.63 128.83 71.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.637 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -112.63 119.3 37.64 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -139.17 99.97 3.89 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.523 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 95.75 -117.41 5.65 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -119.19 17.23 13.18 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.791 0.329 . . . . 0.0 110.408 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 97.8 mmm -140.23 158.47 43.98 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.267 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 55.6 p30 -128.42 164.53 22.51 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.309 0.576 . . . . 0.0 111.038 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -137.02 147.29 46.13 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.049 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 59.5 m -126.45 142.1 51.65 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 7.9 p -133.88 142.68 40.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.775 0.321 . . . . 0.0 110.647 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -117.31 134.31 54.96 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.262 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 63.5 tp -113.65 119.62 38.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.685 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . 0.468 ' CD1' HD12 ' A' ' 132' ' ' ILE . 93.6 m-85 -112.61 170.17 8.38 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.109 0.481 . . . . 0.0 109.841 179.401 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 3.6 p -138.98 128.8 31.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.139 178.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' ILE . . . . . . . . . . . . . 39.5 mm -70.52 132.14 33.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.149 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 122.42 -44.0 1.39 Allowed Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -127.99 100.85 6.06 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.852 0.358 . . . . 0.0 110.497 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . 0.53 ' CD2' ' OE2' ' A' ' 116' ' ' GLU . 29.1 p80 -161.46 156.67 23.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.743 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.81 148.19 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 -179.436 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.63 -179.521 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.8 mtt . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.9 p -155.13 164.0 39.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.543 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -122.22 142.62 50.25 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.498 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.686 ' O ' HG23 ' A' ' 4' ' ' VAL . 33.1 m -130.77 76.15 77.65 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.843 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -55.79 141.3 85.06 Favored 'Trans proline' 0 C--N 1.306 -1.668 0 C-N-CA 122.716 2.277 . . . . 0.0 112.005 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 63.2 t-80 -150.46 62.43 0.95 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.3 t -145.14 58.57 5.27 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.53 179.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -73.58 145.48 37.48 Favored 'Trans proline' 0 C--N 1.302 -1.869 0 C-N-CA 122.819 2.346 . . . . 0.0 112.158 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -135.69 117.81 15.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.292 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.726 ' O ' HG23 ' A' ' 10' ' ' VAL . 31.8 m -127.74 102.23 22.78 Favored Pre-proline 0 CA--C 1.536 0.427 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.764 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -79.45 142.81 16.76 Favored 'Trans proline' 0 N--CA 1.489 1.241 0 C-N-CA 121.621 1.547 . . . . 0.0 111.637 179.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 80.1 p -72.74 154.89 91.18 Favored Pre-proline 0 C--N 1.329 -0.311 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.629 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.733 ' HB2' ' HZ2' ' A' ' 15' ' ' LYS . 76.6 Cg_exo -52.4 145.09 37.76 Favored 'Trans proline' 0 N--CA 1.492 1.404 0 C-N-CA 121.554 1.502 . . . . 0.0 111.122 177.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.415 ' O ' HG12 ' A' ' 17' ' ' VAL . 98.7 mt-10 -59.55 -37.65 78.97 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.624 -178.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.733 ' HZ2' ' HB2' ' A' ' 13' ' ' PRO . 4.7 ptpp? -53.68 -19.2 3.76 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.707 -178.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 77.3 t -63.3 -44.62 99.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 120.659 -0.417 . . . . 0.0 110.915 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.415 HG12 ' O ' ' A' ' 14' ' ' GLU . 1.9 p -68.2 -28.57 41.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.842 -179.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.476 HH22 ' CG ' ' A' ' 49' ' ' ASP . 12.4 mmt180 -61.02 -43.13 99.34 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.776 -179.467 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.414 ' O ' HG23 ' A' ' 23' ' ' ILE . 9.2 mmt180 -67.75 -37.56 82.31 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.911 179.264 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.502 ' HG2' HG21 ' A' ' 152' ' ' VAL . 95.5 mtp -61.89 -35.32 78.0 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.009 -179.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.6 mp -76.58 -40.91 48.2 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.078 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -62.87 -44.94 94.77 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 111.933 0.345 . . . . 0.0 111.933 -179.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.414 HG23 ' O ' ' A' ' 19' ' ' ARG . 35.5 pt -64.66 -36.5 77.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 C-N-CA 120.606 -0.438 . . . . 0.0 110.386 -179.06 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.49 -6.9 43.96 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.938 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm 62.35 40.41 11.24 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.386 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 78.4 t -66.47 118.85 10.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.556 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.455 ' H ' ' HB2' ' A' ' 30' ' ' ASP . 70.1 m -113.75 164.05 14.22 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.536 179.709 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.2 pt20 -58.47 -18.7 30.88 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.918 -179.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -97.79 -0.29 45.53 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.874 -0.33 . . . . 0.0 111.345 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.455 ' HB2' ' H ' ' A' ' 27' ' ' SER . 97.3 m-20 -104.75 135.95 45.18 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.741 0.305 . . . . 0.0 111.269 -179.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.676 HD13 ' CE2' ' A' ' 33' ' ' TYR . 1.0 OUTLIER -86.58 153.72 3.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.112 179.586 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.562 ' N ' HD12 ' A' ' 31' ' ' ILE . 89.7 t -124.55 117.49 50.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.447 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.812 ' CD1' ' HB2' ' A' ' 96' ' ' ALA . 10.9 m-30 -114.51 113.9 25.06 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 176.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.678 ' HB1' HD13 ' A' ' 42' ' ' ILE . . . -120.8 136.78 54.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.438 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 77.1 mt -96.33 -5.25 40.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.442 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -111.17 53.02 0.6 Allowed Glycine 0 CA--C 1.527 0.8 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.407 -178.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.513 ' SG ' ' O ' ' A' ' 58' ' ' VAL . 0.5 OUTLIER -71.26 -86.55 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.571 -0.452 . . . . 0.0 109.902 179.148 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.8 6.22 89.15 Favored Glycine 0 CA--C 1.524 0.633 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.527 179.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.445 ' CB ' ' NH2' ' A' ' 41' ' ' ARG . 1.1 p30 171.1 -15.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.534 0.207 . . . . 0.0 111.01 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 91.15 -3.09 79.95 Favored Glycine 0 C--O 1.219 -0.835 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.445 ' NH2' ' CB ' ' A' ' 39' ' ' ASP . 84.7 mtt85 -61.56 -24.31 66.56 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 122.316 -0.52 . . . . 0.0 110.594 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.678 HD13 ' HB1' ' A' ' 34' ' ' ALA . 13.6 tt -71.67 -41.96 71.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.815 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.593 HG23 HG23 ' A' ' 42' ' ' ILE . 39.3 pt -92.01 -30.82 4.7 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -179.036 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.517 HD13 ' OD1' ' A' ' 71' ' ' ASN . 72.8 mt -62.0 -41.64 91.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.554 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 73.3 m -65.76 -21.98 66.55 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.08 0.467 . . . . 0.0 110.244 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.664 ' HB1' HG11 ' A' ' 52' ' ' VAL . . . -77.12 -65.22 0.98 Allowed 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.959 179.17 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.84 -38.42 82.01 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.442 -179.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -62.89 -48.04 80.72 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.496 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.476 ' CG ' HH22 ' A' ' 18' ' ' ARG . 12.3 t70 -105.68 -49.2 3.47 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -178.152 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.551 ' N ' ' O ' ' A' ' 46' ' ' ALA . 39.7 m-85 -75.46 -5.84 47.08 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.566 -0.453 . . . . 0.0 112.102 -178.354 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 59.0 t30 49.45 34.57 6.85 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.746 178.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.668 HG21 ' HB2' ' A' ' 55' ' ' ALA . 15.6 m -45.14 164.19 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.494 0 CA-C-O 121.278 0.561 . . . . 0.0 110.818 -179.167 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -73.54 -50.8 19.55 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.169 178.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.1 ttpt -147.45 128.74 14.8 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.37 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.668 ' HB2' HG21 ' A' ' 52' ' ' VAL . . . -120.79 125.77 48.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.235 0.54 . . . . 0.0 110.638 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.6 t -133.12 137.06 54.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.701 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -124.22 138.05 11.06 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 109.919 -1.272 . . . . 0.0 109.919 178.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.513 ' O ' ' SG ' ' A' ' 37' ' ' CYS . 63.0 t -93.43 115.53 32.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 119.785 -0.766 . . . . 0.0 109.809 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -136.76 122.64 20.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.387 -179.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.717 ' O ' HG23 ' A' ' 60' ' ' ILE . 18.5 tt -128.32 98.38 4.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.841 179.161 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -150.65 -174.42 4.76 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.528 ' O ' HG22 ' A' ' 65' ' ' ILE . 66.6 t0 -110.78 -67.93 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.769 0.319 . . . . 0.0 111.225 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -70.71 -38.63 73.64 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.894 0.378 . . . . 0.0 111.703 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 85.5 mtp180 -80.71 -7.81 59.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.719 -178.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.528 HG22 ' O ' ' A' ' 62' ' ' ASP . 12.5 tt -65.02 -37.52 80.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 119.96 -0.696 . . . . 0.0 110.722 -179.119 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.406 ' N ' ' CG2' ' A' ' 65' ' ' ILE . 8.6 ptm180 -79.37 -27.65 41.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.013 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.53 -47.43 85.63 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.576 -0.45 . . . . 0.0 111.074 -179.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.19 -40.97 95.92 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -178.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.425 HD23 HD11 ' A' ' 83' ' ' ILE . 35.4 mt -61.91 -40.34 95.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.059 0.457 . . . . 0.0 110.521 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.69 -38.86 92.69 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.548 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.523 ' OD1' ' ND2' ' A' ' 75' ' ' ASN . 55.6 t-20 -59.89 -44.93 93.94 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.768 -0.373 . . . . 0.0 111.201 -178.509 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.8 mp -55.66 -46.66 79.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.974 -178.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -63.52 -40.34 96.77 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.196 -0.602 . . . . 0.0 110.042 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -56.7 -38.88 72.92 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.297 -179.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.523 ' ND2' ' OD1' ' A' ' 71' ' ' ASN . 66.1 m-80 -92.94 3.96 54.79 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.771 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 48.6 42.36 27.35 Favored Glycine 0 CA--C 1.526 0.745 0 C-N-CA 120.768 -0.729 . . . . 0.0 111.737 178.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 5.1 m -109.67 16.34 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 120.921 -0.311 . . . . 0.0 111.7 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.5 p -48.17 163.43 0.07 Allowed 'General case' 0 CA--C 1.514 -0.409 0 CA-C-O 121.419 0.628 . . . . 0.0 111.054 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 76.58 -31.31 1.44 Allowed Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 114.817 -1.083 . . . . 0.0 111.358 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 64.6 mtt180 -103.44 -24.83 13.43 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-N 117.099 0.45 . . . . 0.0 110.233 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -122.08 133.71 54.77 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.587 -179.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.1 t -146.97 164.28 33.46 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.271 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.425 HD11 HD23 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -127.04 137.31 58.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.884 178.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 95.4 t -125.96 129.98 72.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.725 -179.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -97.48 152.95 18.46 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 141.75 -160.76 27.06 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.874 ' O ' HG23 ' A' ' 91' ' ' VAL . 98.4 m-20 -105.06 132.25 51.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.111 0.481 . . . . 0.0 111.308 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -56.09 -40.3 73.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.321 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -63.75 -37.11 86.12 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.302 0.572 . . . . 0.0 109.519 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.5 tp10 -82.97 0.78 43.02 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.709 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.874 HG23 ' O ' ' A' ' 87' ' ' ASN . 94.1 t -106.49 126.06 62.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 CA-C-O 121.08 0.467 . . . . 0.0 111.489 -179.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -88.88 117.81 28.14 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.418 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 35.3 pt -117.47 17.96 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.171 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 89.9 p -59.17 -28.7 66.85 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.497 -178.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -74.05 -18.44 60.83 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.693 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.812 ' HB2' ' CD1' ' A' ' 33' ' ' TYR . . . -69.55 135.76 50.46 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.914 0.388 . . . . 0.0 111.822 -178.416 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.785 HG23 HG23 ' A' ' 98' ' ' VAL . 14.6 t -98.21 -26.55 14.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.269 179.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.785 HG23 HG23 ' A' ' 97' ' ' THR . 93.4 t -130.75 128.17 62.66 Favored 'Isoleucine or valine' 0 C--O 1.232 0.146 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.366 179.452 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 80.0 t -132.92 140.65 46.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.266 0.555 . . . . 0.0 111.05 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 69.1 p -132.49 157.98 43.25 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.173 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 99.4 mtp -127.16 135.42 50.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.829 0.347 . . . . 0.0 110.851 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -149.31 91.4 1.83 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.116 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.1 pp -162.3 163.22 28.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.61 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -135.49 22.92 3.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.395 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 73.4 p -129.84 159.97 34.93 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.741 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.424 ' O ' ' C ' ' A' ' 107' ' ' VAL . 72.4 m-20 46.29 -146.49 0.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.432 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.424 ' C ' ' O ' ' A' ' 106' ' ' ASN . 3.9 t 32.08 44.16 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.302 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -62.47 -39.46 93.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.249 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.23 -39.67 93.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.021 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 65.7 mtt 58.6 27.75 16.16 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.805 -179.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 93.8 mt -130.63 132.35 45.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.686 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.923 ' NZ ' HD11 ' A' ' 115' ' ' LEU . 15.1 pttp -161.94 76.42 2.21 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.797 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_exo -56.63 -12.87 9.52 Favored 'Trans proline' 0 N--CA 1.497 1.722 0 C-N-CA 123.237 2.625 . . . . 0.0 112.021 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -58.27 -18.13 24.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.816 -178.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.923 HD11 ' NZ ' ' A' ' 112' ' ' LYS . 94.6 mt -60.24 -36.81 78.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.014 0.435 . . . . 0.0 109.923 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -64.14 -23.06 67.18 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.904 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.456 ' N ' ' CD ' ' A' ' 117' ' ' LYS . 2.7 mptp? -94.64 -40.77 9.65 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.039 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -78.14 -50.87 11.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.152 -178.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.754 HD23 HG21 ' A' ' 123' ' ' THR . 6.0 mp -85.42 135.31 33.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.83 0.348 . . . . 0.0 110.293 -179.477 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -72.62 150.46 91.14 Favored Pre-proline 0 CA--C 1.535 0.378 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.537 -179.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.49 141.27 73.73 Favored 'Trans proline' 0 N--CA 1.498 1.744 0 C-N-CA 121.648 1.566 . . . . 0.0 112.064 179.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 98.49 -6.19 60.91 Favored Glycine 0 C--O 1.227 -0.321 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . 0.754 HG21 HD23 ' A' ' 119' ' ' LEU . 3.4 m -71.32 149.34 46.19 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 178.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.534 ' N ' ' CD ' ' A' ' 124' ' ' ARG . 0.0 OUTLIER -105.86 129.29 54.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.563 -179.362 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 60.9 t -122.83 129.11 75.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.029 179.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 49.1 t -118.61 123.11 71.02 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.131 0 C-N-CA 121.082 -0.247 . . . . 0.0 110.839 -179.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 41.3 t -95.74 145.17 25.52 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.945 0.402 . . . . 0.0 110.526 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . 0.465 ' CG ' ' N ' ' A' ' 129' ' ' GLU . 22.0 t-160 -51.75 -105.02 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.542 -179.323 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.465 ' N ' ' CG ' ' A' ' 128' ' ' HIS . 88.2 tt0 -104.29 -36.01 7.77 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.399 -179.406 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -76.64 139.87 40.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.997 0.427 . . . . 0.0 111.199 -179.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.45 ' OE1' ' N ' ' A' ' 131' ' ' GLU . 20.5 pm0 -86.19 162.9 18.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.467 179.484 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.518 HD12 ' CE1' ' A' ' 155' ' ' TYR . 77.9 mt -93.45 117.94 38.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.285 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -73.12 139.81 46.68 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 179.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 90.55 -21.67 31.35 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.435 -0.666 . . . . 0.0 111.435 179.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 13.6 m0 -106.45 152.91 23.02 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.828 0.347 . . . . 0.0 110.914 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -107.6 120.28 47.89 Favored Pre-proline 0 CA--C 1.536 0.442 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.86 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -73.08 150.33 48.01 Favored 'Trans proline' 0 N--CA 1.493 1.466 0 C-N-CA 121.738 1.625 . . . . 0.0 112.389 -179.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -84.04 -46.95 11.46 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 179.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -134.53 133.2 40.04 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.444 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 65.4 t -130.11 124.2 57.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.242 179.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 24.4 pt -142.36 162.78 18.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.625 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.412 ' CG ' ' OG1' ' A' ' 151' ' ' THR . 19.5 mtmt -121.47 153.25 38.16 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.949 -1.023 . . . . 0.0 111.558 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 63.1 t -126.4 130.3 71.88 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.288 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -113.24 122.69 48.23 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.229 -0.285 . . . . 0.0 110.229 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -143.15 99.75 3.51 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.623 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 95.37 -120.34 6.48 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -114.36 14.6 17.99 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.682 0.277 . . . . 0.0 110.625 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 63.6 mtt -140.22 157.7 45.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.459 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 57.0 p30 -128.11 165.38 20.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.089 0.471 . . . . 0.0 110.649 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -136.87 146.95 46.18 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.389 -179.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.412 ' OG1' ' CG ' ' A' ' 142' ' ' LYS . 53.5 m -125.03 141.63 52.0 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.502 HG21 ' HG2' ' A' ' 20' ' ' MET . 9.9 p -134.81 140.2 45.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.858 0.361 . . . . 0.0 110.075 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -111.77 136.49 50.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.233 -179.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 66.4 tp -114.31 130.56 56.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.367 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . 0.518 ' CE1' HD12 ' A' ' 132' ' ' ILE . 91.8 m-85 -126.81 163.61 23.2 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 2.4 p -134.49 127.56 50.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.663 178.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' ILE . . . . . . . . . . . . . 38.7 mm -70.96 136.7 25.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.47 -0.787 . . . . 0.0 110.871 -179.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 136.05 -33.54 2.37 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 109.468 -1.453 . . . . 0.0 109.468 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -149.45 100.5 3.01 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 178.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 22.5 p80 -69.8 -28.43 65.72 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -178.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 49.1 mtpt -101.48 -171.82 2.05 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.63 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.452 179.907 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.1 tpp . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.433 ' OG ' ' CD1' ' A' ' 3' ' ' TYR . 46.9 t -152.06 143.9 23.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.664 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.433 ' CD1' ' OG ' ' A' ' 2' ' ' SER . 94.8 m-85 54.65 41.52 31.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.627 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.689 HG22 ' O ' ' A' ' 4' ' ' VAL . 7.6 p -128.79 59.78 45.37 Favored Pre-proline 0 C--N 1.332 -0.191 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.619 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.71 -16.81 37.95 Favored 'Trans proline' 0 C--N 1.308 -1.554 0 C-N-CA 122.729 2.286 . . . . 0.0 112.114 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 79.9 m80 -106.55 160.99 15.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.376 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.658 ' O ' HG22 ' A' ' 7' ' ' VAL . 7.3 p -128.37 63.7 64.7 Favored Pre-proline 0 C--N 1.332 -0.169 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.921 -179.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.732 ' O ' HG13 ' A' ' 10' ' ' VAL . 74.0 Cg_endo -74.23 160.3 42.57 Favored 'Trans proline' 0 C--N 1.307 -1.622 0 C-N-CA 123.158 2.572 . . . . 0.0 112.58 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.463 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 0.1 OUTLIER -50.27 121.96 6.27 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.973 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.732 HG13 ' O ' ' A' ' 8' ' ' PRO . 32.7 m -128.55 115.73 19.62 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 114.703 -1.135 . . . . 0.0 109.016 179.367 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -55.72 154.8 24.4 Favored 'Trans proline' 0 N--CA 1.489 1.263 0 C-N-CA 121.096 1.197 . . . . 0.0 111.552 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 75.2 p -50.4 150.03 5.0 Favored Pre-proline 0 CA--C 1.533 0.314 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.438 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -68.13 162.39 40.36 Favored 'Trans proline' 0 N--CA 1.495 1.61 0 C-N-CA 122.413 2.076 . . . . 0.0 112.461 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -64.37 -17.76 64.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.838 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.86 -41.97 96.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.923 0.392 . . . . 0.0 110.249 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.4 t -61.82 -46.4 96.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.083 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 57.0 t -63.14 -39.52 85.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.497 . . . . 0.0 109.93 178.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 27.1 mmm-85 -59.46 -41.93 90.85 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.211 -179.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -68.32 -38.11 81.23 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.599 -0.44 . . . . 0.0 111.112 179.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 92.1 mtp -62.31 -36.79 83.25 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.663 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 90.1 mt -71.17 -40.66 71.14 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.696 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -64.78 -45.37 86.63 Favored 'General case' 0 CA--C 1.519 -0.213 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -178.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 38.6 pt -67.26 -35.96 75.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.07 -178.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.77 -9.85 53.24 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.189 -179.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.3 mmmt 63.46 44.85 5.11 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.928 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 91.1 t -73.4 115.69 14.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.308 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.473 ' H ' ' HB2' ' A' ' 30' ' ' ASP . 67.5 m -112.15 165.58 12.02 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.661 179.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -58.04 -22.02 48.13 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.018 -179.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 57.2 p30 -96.12 5.34 51.31 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.653 -0.419 . . . . 0.0 111.157 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.473 ' HB2' ' H ' ' A' ' 27' ' ' SER . 97.0 m-20 -111.77 140.61 46.27 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.66 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.553 HD11 ' HA ' ' A' ' 96' ' ' ALA . 1.3 pp -93.7 159.74 2.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.807 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.494 ' N ' HD12 ' A' ' 31' ' ' ILE . 86.6 t -125.85 122.28 61.66 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.4 179.169 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.548 ' CZ ' ' OE2' ' A' ' 95' ' ' GLU . 2.0 m-30 -114.76 117.48 30.89 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 177.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.569 ' HB1' HD13 ' A' ' 42' ' ' ILE . . . -134.79 143.09 46.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.889 0.376 . . . . 0.0 110.898 -179.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.474 HD12 ' H ' ' A' ' 35' ' ' LEU . 0.7 OUTLIER -110.56 5.08 20.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.565 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.435 ' O ' ' O ' ' A' ' 37' ' ' CYS . . . -99.26 9.16 61.01 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.435 ' O ' ' O ' ' A' ' 36' ' ' GLY . 0.6 OUTLIER -41.73 -94.65 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.601 -179.538 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.36 11.69 82.24 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.434 -1.066 . . . . 0.0 110.434 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 178.83 -23.45 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.83 0.348 . . . . 0.0 110.586 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 91.42 -4.42 80.06 Favored Glycine 0 C--O 1.22 -0.737 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -59.92 -36.44 77.02 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.3 -0.56 . . . . 0.0 110.622 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.619 HG23 HG23 ' A' ' 43' ' ' ILE . 18.2 tt -60.25 -43.92 94.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.196 -179.443 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.619 HG23 HG23 ' A' ' 42' ' ' ILE . 36.6 pt -88.6 -31.84 5.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -179.121 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.452 HD13 ' OD1' ' A' ' 71' ' ' ASN . 67.0 mt -61.82 -41.13 89.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -179.713 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 91.1 m -64.27 -26.68 68.6 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.406 0.622 . . . . 0.0 109.341 179.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.742 ' HB1' HG11 ' A' ' 52' ' ' VAL . . . -70.25 -68.34 0.43 Allowed 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.843 179.095 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.88 -37.68 77.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.671 -178.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -62.75 -45.43 92.75 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.212 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -108.04 -53.39 2.63 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.538 0.569 . . . . 0.0 112.538 -178.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.572 ' N ' ' O ' ' A' ' 46' ' ' ALA . 50.6 m-85 -70.69 -8.24 50.53 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.872 -178.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.539 ' OD1' ' NH1' ' A' ' 80' ' ' ARG . 46.1 t-20 51.12 34.5 11.18 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.704 -0.399 . . . . 0.0 111.475 179.033 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.742 HG11 ' HB1' ' A' ' 46' ' ' ALA . 3.1 m -55.23 127.47 14.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.365 0.603 . . . . 0.0 111.336 -178.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -45.53 -46.5 14.01 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.001 -0.999 . . . . 0.0 110.434 -178.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.486 ' HZ1' HG21 ' A' ' 56' ' ' VAL . 11.5 ttpp -143.14 128.6 19.0 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.403 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.678 ' HB2' HG21 ' A' ' 52' ' ' VAL . . . -125.72 127.05 45.61 Favored 'General case' 0 C--N 1.334 -0.098 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.486 HG21 ' HZ1' ' A' ' 54' ' ' LYS . 88.2 t -132.36 134.22 59.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.6 -179.323 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -113.34 133.14 11.07 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 110.276 -1.129 . . . . 0.0 110.276 178.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 86.5 t -106.99 126.27 63.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.44 ' OE2' ' N ' ' A' ' 61' ' ' ASN . 6.7 tm-20 -179.17 152.93 0.57 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.889 -179.429 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.587 ' O ' HG23 ' A' ' 60' ' ' ILE . 17.7 tt -136.12 119.57 23.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.653 179.254 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.46 ' OD1' ' O ' ' A' ' 60' ' ' ILE . 97.3 m-20 -149.32 172.2 15.28 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.489 ' O ' HG22 ' A' ' 65' ' ' ILE . 98.1 m-20 -102.26 -67.27 0.88 Allowed 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 120.671 -0.412 . . . . 0.0 111.392 179.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 55.1 mp0 -67.83 -39.27 83.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.713 -179.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 84.0 mtt85 -73.07 -7.8 52.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 -179.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.644 HD12 ' NZ ' ' A' ' 85' ' ' LYS . 16.5 tt -52.79 -42.44 42.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.553 -179.307 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.557 ' N ' HG23 ' A' ' 65' ' ' ILE . 37.1 ptt180 -78.07 -30.9 49.95 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.531 -179.353 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -67.3 -22.89 65.61 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.018 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -85.07 -56.66 3.44 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.34 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.44 HD23 HD11 ' A' ' 83' ' ' ILE . 39.0 mt -62.23 -40.44 96.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.235 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.69 -38.74 92.27 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.686 -179.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.516 ' OD1' ' ND2' ' A' ' 75' ' ' ASN . 55.4 t-20 -59.57 -47.33 85.98 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.389 -0.524 . . . . 0.0 110.602 -178.483 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.8 mp -55.15 -46.41 77.63 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 C-N-CA 120.697 -0.401 . . . . 0.0 111.035 -178.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.92 -40.02 95.51 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.173 -0.611 . . . . 0.0 109.958 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -57.28 -39.99 76.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.221 -179.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.516 ' ND2' ' OD1' ' A' ' 71' ' ' ASN . 66.5 m-80 -91.21 2.29 56.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.203 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 50.12 42.17 39.64 Favored Glycine 0 CA--C 1.525 0.697 0 C-N-CA 121.12 -0.562 . . . . 0.0 112.049 178.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.4 m -107.94 17.33 6.85 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.265 0 CA-C-N 116.936 0.368 . . . . 0.0 111.364 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.7 p -50.16 159.7 0.42 Allowed 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 121.674 0.75 . . . . 0.0 111.185 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 77.76 -12.34 16.71 Favored Glycine 0 CA--C 1.524 0.646 0 CA-C-N 114.372 -1.285 . . . . 0.0 111.223 178.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.539 ' NH1' ' OD1' ' A' ' 51' ' ' ASN . 6.9 mtp180 -121.15 -26.56 5.08 Favored 'General case' 0 CA--C 1.521 -0.135 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 179.39 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -120.56 133.98 55.33 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.839 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.0 t -147.39 163.82 35.25 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.675 -179.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.44 HD11 HD23 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -128.71 139.78 50.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.965 179.118 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 83.6 t -123.15 125.38 71.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.547 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.644 ' NZ ' HD12 ' A' ' 65' ' ' ILE . 46.9 mtpt -95.97 152.75 18.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.036 0.446 . . . . 0.0 110.812 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 137.47 -158.42 24.46 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.117 -1.193 . . . . 0.0 110.117 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -95.01 136.71 34.99 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.339 0.59 . . . . 0.0 110.593 179.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -52.11 -24.61 7.17 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.446 -178.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -90.58 -3.46 57.55 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.16 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 26.8 tp10 -95.17 0.57 54.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.596 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.3 p -119.46 144.9 26.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.156 0.503 . . . . 0.0 110.715 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -100.33 136.46 40.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.607 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.446 HG22 ' HD2' ' A' ' 33' ' ' TYR . 40.6 pt -118.23 6.03 6.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.057 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 47.3 t -57.03 -36.83 70.92 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 121.055 -0.258 . . . . 0.0 110.994 -179.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.548 ' OE2' ' CZ ' ' A' ' 33' ' ' TYR . 2.4 pp20? -67.56 -18.66 65.09 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.478 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.553 ' HA ' HD11 ' A' ' 31' ' ' ILE . . . -71.39 138.77 49.41 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -178.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.629 HG23 HG23 ' A' ' 98' ' ' VAL . 15.0 t -99.09 -27.19 13.95 Favored 'General case' 0 CA--C 1.527 0.074 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 178.203 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.629 HG23 HG23 ' A' ' 97' ' ' THR . 70.2 t -129.69 131.03 67.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.196 179.175 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 60.8 t -135.72 144.82 32.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.11 0.481 . . . . 0.0 111.05 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 78.8 p -128.19 157.31 41.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.059 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 63.2 tpp -132.15 129.68 40.14 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.583 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -143.16 91.79 2.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.661 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 89.7 mt -124.84 137.56 54.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.118 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 92.5 mt -63.37 -41.4 98.82 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.52 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 15.1 t -162.88 158.2 22.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.772 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 56.2 p30 -154.14 160.94 42.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.518 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.4 ' O ' ' C ' ' A' ' 108' ' ' ASN . 69.6 t -128.41 122.83 58.58 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.135 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.591 179.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 107' ' ' VAL . 74.2 m-20 37.0 -151.62 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.8 179.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 40.97 43.67 1.82 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.703 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 79.4 mtm -68.41 -37.25 80.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.01 0.434 . . . . 0.0 110.442 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.2 mp 51.06 61.45 3.23 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.821 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.592 ' N ' ' CD ' ' A' ' 113' ' ' PRO . 13.8 mtmt -82.74 -40.99 0.88 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.712 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.592 ' CD ' ' N ' ' A' ' 112' ' ' LYS . 29.3 Cg_exo -62.44 -24.25 75.43 Favored 'Trans proline' 0 N--CA 1.498 1.787 0 C-N-CA 122.671 2.247 . . . . 0.0 112.61 -179.284 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -63.32 -36.07 82.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.98 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 95.9 mt -59.76 -35.78 75.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.887 -179.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.519 ' OE2' ' NE2' ' A' ' 160' ' ' HIS . 75.0 mm-40 -64.58 -22.1 66.88 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.593 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -94.87 -42.79 8.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.605 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -73.74 -51.19 17.34 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.5 -178.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.417 HD13 HG21 ' A' ' 123' ' ' THR . 89.0 mt -86.87 132.13 33.91 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.615 -179.122 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -72.54 156.18 90.43 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.568 179.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -60.01 140.36 92.31 Favored 'Trans proline' 0 C--N 1.307 -1.635 0 C-N-CA 121.738 1.625 . . . . 0.0 111.496 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 98.07 -3.18 60.12 Favored Glycine 0 CA--C 1.522 0.499 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . 0.417 HG21 HD13 ' A' ' 119' ' ' LEU . 4.6 m -70.9 146.73 49.39 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 178.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.457 ' CG ' HG22 ' A' ' 98' ' ' VAL . 9.3 mmt180 -99.14 126.77 44.98 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 120.971 -0.291 . . . . 0.0 110.641 -179.408 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 58.5 t -123.82 129.48 74.38 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.372 178.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 60.9 t -121.84 124.7 72.02 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.201 -179.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 68.4 m -97.28 161.14 13.94 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.25 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . 0.602 ' CG ' ' N ' ' A' ' 129' ' ' GLU . 28.1 t-80 -67.62 -102.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.658 -179.154 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.602 ' N ' ' CG ' ' A' ' 128' ' ' HIS . 88.4 tt0 -109.29 -24.01 11.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.202 -179.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -85.17 128.58 34.72 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.697 -179.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 20.2 pm0 -75.99 161.18 29.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.692 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.716 HD12 ' CE1' ' A' ' 155' ' ' TYR . 70.8 mt -93.27 116.42 34.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.452 ' O ' ' NZ ' ' A' ' 112' ' ' LYS . 62.2 ttp180 -73.01 141.09 47.7 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 88.74 -25.41 9.71 Favored Glycine 0 CA--C 1.521 0.458 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 179.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 12.0 m0 -102.46 147.41 26.77 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.947 0.403 . . . . 0.0 111.228 -179.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.465 ' ND2' ' O ' ' A' ' 160' ' ' HIS . 72.8 m-20 -101.74 117.36 61.87 Favored Pre-proline 0 CA--C 1.537 0.462 0 CA-C-N 115.927 -0.578 . . . . 0.0 109.704 179.334 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.12 149.35 52.04 Favored 'Trans proline' 0 N--CA 1.492 1.436 0 C-N-CA 121.593 1.529 . . . . 0.0 112.416 -179.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 48.7 tptt -80.45 -46.65 15.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.899 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -137.86 132.98 33.35 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.573 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 65.5 t -130.43 124.44 57.4 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.123 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.494 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.408 HG21 HD13 ' A' ' 141' ' ' ILE . 24.1 pt -143.14 163.59 16.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.387 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 9.1 mtmm -120.57 155.06 34.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.299 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 61.0 t -129.24 130.08 67.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.18 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -113.89 107.0 15.11 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.492 ' O ' ' SD ' ' A' ' 148' ' ' MET . 66.8 t0 -113.88 102.31 10.1 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.452 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 86.91 -110.52 3.55 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -121.38 17.68 11.4 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.569 0.223 . . . . 0.0 110.501 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . 0.492 ' SD ' ' O ' ' A' ' 145' ' ' ASP . 0.5 OUTLIER -121.38 -175.18 3.02 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.02 0.438 . . . . 0.0 111.197 -179.269 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 37.9 p30 -155.26 150.32 26.82 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.097 178.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -138.02 146.99 43.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.078 -0.964 . . . . 0.0 110.096 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.434 ' O ' ' O ' ' A' ' 128' ' ' HIS . 67.5 m -123.69 140.11 53.32 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 73.7 t -129.55 131.8 66.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.691 0.281 . . . . 0.0 110.686 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -109.47 132.75 53.84 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.702 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 61.4 tp -113.23 126.51 55.49 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . 0.716 ' CE1' HD12 ' A' ' 132' ' ' ILE . 97.1 m-85 -120.74 166.61 13.48 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 66.8 t -133.82 127.31 52.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.558 178.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' ILE . . . . . . . . . . . . . 37.6 mm -70.57 130.95 34.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.281 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 123.32 -43.31 1.45 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.308 -1.117 . . . . 0.0 110.308 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -135.87 129.93 33.1 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . 0.519 ' NE2' ' OE2' ' A' ' 116' ' ' GLU . 0.5 OUTLIER -163.27 -86.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.116 -179.451 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 160' ' ' HIS . 57.2 mtmt -31.42 -52.42 0.21 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.392 -178.012 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.594 179.994 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.0 ttp . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.3 m -62.04 -40.0 94.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.559 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -128.1 147.41 50.53 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.595 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 28.7 m -129.49 149.45 72.87 Favored Pre-proline 0 CA--C 1.532 0.261 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.217 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -70.69 152.36 64.47 Favored 'Trans proline' 0 N--CA 1.495 1.564 0 C-N-CA 122.181 1.921 . . . . 0.0 112.213 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -117.91 108.3 15.13 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.702 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.612 ' O ' HG22 ' A' ' 7' ' ' VAL . 5.9 p -140.4 69.79 32.78 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.642 179.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -56.87 139.14 88.54 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.816 2.344 . . . . 0.0 112.519 -179.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -139.35 123.84 18.29 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.388 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 58.2 t -108.03 107.36 60.16 Favored Pre-proline 0 CA--C 1.538 0.481 0 C-N-CA 121.122 -0.231 . . . . 0.0 111.195 -179.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -55.36 151.04 38.57 Favored 'Trans proline' 0 N--CA 1.497 1.724 0 C-N-CA 121.807 1.671 . . . . 0.0 111.782 178.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 29.3 p -100.85 107.51 49.74 Favored Pre-proline 0 CA--C 1.536 0.405 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.685 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.76 152.93 32.7 Favored 'Trans proline' 0 N--CA 1.496 1.676 0 C-N-CA 121.664 1.576 . . . . 0.0 111.696 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -61.07 -17.69 53.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.162 0.506 . . . . 0.0 109.804 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -61.83 -40.6 95.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.546 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.5 t -61.78 -47.66 92.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.55 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 55.7 t -63.89 -39.46 85.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.901 0.382 . . . . 0.0 110.091 179.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.526 ' NH2' ' OD2' ' A' ' 49' ' ' ASP . 10.0 mmm180 -59.91 -40.99 90.69 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.469 -179.541 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.0 mmt85 -67.32 -35.76 80.07 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.515 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 63.7 mtt -64.91 -29.94 70.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.401 0.619 . . . . 0.0 110.517 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 93.8 mt -76.45 -40.53 50.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.434 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -64.6 -43.93 92.23 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.205 -0.452 . . . . 0.0 112.007 -178.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.417 HD13 HG21 ' A' ' 23' ' ' ILE . 35.0 pt -69.48 -37.73 75.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.097 -178.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.16 -6.07 31.67 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.02 0.438 . . . . 0.0 110.257 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp 61.05 38.81 16.95 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.999 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.417 ' CG2' HG11 ' A' ' 98' ' ' VAL . 79.1 t -68.57 123.61 22.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.897 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.455 ' H ' ' HB2' ' A' ' 30' ' ' ASP . 17.3 t -115.49 174.72 5.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.703 179.43 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -62.65 -21.87 66.02 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.42 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 57.8 p30 -100.21 8.35 43.86 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.191 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.455 ' HB2' ' H ' ' A' ' 27' ' ' SER . 96.8 m-20 -107.56 131.58 54.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.813 0.339 . . . . 0.0 110.761 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.692 HD13 ' CE2' ' A' ' 33' ' ' TYR . 0.9 OUTLIER -84.89 154.36 3.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.744 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.612 ' N ' HD12 ' A' ' 31' ' ' ILE . 93.3 t -126.98 118.11 49.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.043 178.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.761 ' CD1' ' HB2' ' A' ' 96' ' ' ALA . 11.4 m-30 -113.27 109.01 18.05 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.112 176.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.765 ' HB1' HD13 ' A' ' 42' ' ' ILE . . . -103.63 121.81 43.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.998 0.427 . . . . 0.0 111.055 -179.49 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.456 ' O ' ' O ' ' A' ' 58' ' ' VAL . 90.4 mt -61.7 -37.47 84.27 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -178.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -134.86 96.67 0.28 Allowed Glycine 0 CA--C 1.528 0.863 0 C-N-CA 120.378 -0.915 . . . . 0.0 112.425 -178.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.5 ' SG ' ' N ' ' A' ' 38' ' ' GLY . 19.2 p -81.4 -57.61 3.41 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.729 0.3 . . . . 0.0 110.984 178.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.5 ' N ' ' SG ' ' A' ' 37' ' ' CYS . . . 80.67 7.4 88.6 Favored Glycine 0 CA--C 1.529 0.933 0 C-N-CA 121.104 -0.569 . . . . 0.0 112.038 179.396 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.434 ' CB ' ' O ' ' A' ' 38' ' ' GLY . 1.0 OUTLIER 164.79 -5.36 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 116.998 0.399 . . . . 0.0 111.258 179.815 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.441 ' H ' ' HB2' ' A' ' 37' ' ' CYS . . . 83.93 3.54 89.15 Favored Glycine 0 C--O 1.222 -0.631 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 179.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -69.04 -11.01 60.4 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 122.255 -0.556 . . . . 0.0 110.255 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.765 HD13 ' HB1' ' A' ' 34' ' ' ALA . 12.5 tt -86.16 -40.11 14.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.832 179.311 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.63 HG23 HG23 ' A' ' 42' ' ' ILE . 37.3 pt -96.55 -30.03 3.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 N-CA-C 112.192 0.442 . . . . 0.0 112.192 -178.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.463 HD11 HD12 ' A' ' 72' ' ' ILE . 73.6 mt -61.03 -42.74 94.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.949 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 96.8 m -58.4 -49.96 75.39 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 119.721 -0.792 . . . . 0.0 110.275 -178.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 50' ' ' PHE . . . -58.01 -51.48 69.47 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 119.911 -0.716 . . . . 0.0 112.089 -177.492 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.25 -41.9 97.7 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.352 -0.539 . . . . 0.0 111.562 -178.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.675 ' NZ ' HD22 ' A' ' 75' ' ' ASN . 39.9 ttmt -64.76 -46.39 82.34 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.439 -179.536 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.526 ' OD2' ' NH2' ' A' ' 18' ' ' ARG . 64.1 t0 -101.55 -54.45 2.75 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -177.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.502 ' N ' ' O ' ' A' ' 46' ' ' ALA . 53.0 m-85 -75.44 -2.69 29.91 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.403 -0.519 . . . . 0.0 112.19 -178.27 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 60.2 t30 48.8 37.64 10.24 Favored 'General case' 0 C--O 1.232 0.18 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 178.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.8 m -58.25 134.23 23.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.618 0.723 . . . . 0.0 111.71 -178.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -51.06 -48.72 61.51 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.529 -178.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.503 ' NZ ' ' OH ' ' A' ' 33' ' ' TYR . 23.5 ttpt -142.63 131.6 23.03 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.329 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.68 ' HB3' ' O ' ' A' ' 80' ' ' ARG . . . -129.78 129.92 44.7 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 121.063 0.459 . . . . 0.0 110.312 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 67.7 t -134.54 135.64 53.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.978 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -119.77 129.68 8.1 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 109.855 -1.298 . . . . 0.0 109.855 178.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.456 ' O ' ' O ' ' A' ' 35' ' ' LEU . 62.2 t -95.94 125.67 48.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 C-N-CA 120.238 -0.585 . . . . 0.0 109.985 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -132.4 -167.42 1.89 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.791 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.613 ' O ' HG23 ' A' ' 60' ' ' ILE . 6.3 tt 170.84 84.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 178.643 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.401 ' ND2' ' O ' ' A' ' 60' ' ' ILE . 28.7 m120 -147.65 177.54 9.2 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 -179.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.545 ' O ' HG22 ' A' ' 65' ' ' ILE . 98.1 m-20 -100.0 -66.39 0.91 Allowed 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.508 -0.477 . . . . 0.0 111.39 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -69.36 -39.3 78.15 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -179.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -75.27 -7.86 55.06 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.509 -178.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.545 HG22 ' O ' ' A' ' 62' ' ' ASP . 13.1 tt -63.93 -38.04 81.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 C-N-CA 120.488 -0.485 . . . . 0.0 111.355 -179.113 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.442 ' N ' ' CG2' ' A' ' 65' ' ' ILE . 7.1 ptm85 -83.37 -29.85 27.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.561 -179.111 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.69 -45.78 92.5 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.912 -179.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.481 ' HB1' HG21 ' A' ' 83' ' ' ILE . . . -60.54 -40.96 93.46 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 121.012 -0.275 . . . . 0.0 111.739 -179.09 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 68.6 mt -62.97 -42.59 99.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.094 0.473 . . . . 0.0 110.426 179.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.55 -39.33 93.56 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.945 -179.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.437 ' CG ' ' CD1' ' A' ' 44' ' ' ILE . 55.2 t-20 -59.79 -45.88 90.92 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.549 -0.461 . . . . 0.0 110.656 -178.467 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.463 HD12 HD11 ' A' ' 44' ' ' ILE . 1.4 mp -52.17 -48.77 42.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 121.091 -0.244 . . . . 0.0 110.567 -179.531 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -63.36 -41.9 98.85 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.634 -0.427 . . . . 0.0 110.626 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm -55.85 -37.17 68.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.247 -178.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.675 HD22 ' NZ ' ' A' ' 48' ' ' LYS . 34.8 m120 -95.34 5.1 52.58 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.501 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 47.69 42.76 21.24 Favored Glycine 0 N--CA 1.463 0.476 0 C-N-CA 121.031 -0.604 . . . . 0.0 111.603 177.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 18.0 m -104.34 11.34 8.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 120.736 -0.386 . . . . 0.0 111.127 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.02 122.71 9.89 Favored 'General case' 0 CA--C 1.52 -0.201 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.603 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 113.47 -11.36 23.76 Favored Glycine 0 CA--C 1.519 0.321 0 N-CA-C 110.164 -1.174 . . . . 0.0 110.164 -179.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.68 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 68.5 mtt180 -127.55 -24.77 3.26 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 178.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -126.05 133.43 51.72 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.9 -179.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 87.6 p -147.12 164.6 32.58 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.8 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.481 HG21 ' HB1' ' A' ' 68' ' ' ALA . 0.0 OUTLIER -130.44 138.14 54.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.913 0.387 . . . . 0.0 110.765 179.875 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.502 HG11 HG11 ' A' ' 91' ' ' VAL . 77.9 t -127.73 131.83 69.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.486 -179.686 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.8 ptmt -91.79 148.27 22.36 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.275 -0.57 . . . . 0.0 110.224 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 118.7 -173.88 15.09 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -86.63 171.81 10.72 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 110.395 -0.224 . . . . 0.0 110.395 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.428 ' O ' ' O ' ' A' ' 91' ' ' VAL . 52.7 p90 -72.88 -4.25 30.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.023 0.44 . . . . 0.0 109.883 179.108 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -78.8 -40.2 33.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.638 178.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -60.8 -26.83 67.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.825 -1.08 . . . . 0.0 110.75 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.502 HG11 HG11 ' A' ' 84' ' ' VAL . 30.3 m -125.37 161.27 30.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.08 0.467 . . . . 0.0 110.79 -179.546 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -106.49 135.76 47.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.177 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 42.8 pt -122.88 10.21 5.44 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.132 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.248 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' A' ' 118' ' ' GLU . 89.0 p -60.61 -30.86 70.11 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.473 -0.491 . . . . 0.0 111.129 -179.366 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -73.94 -17.3 61.03 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.816 0.341 . . . . 0.0 111.387 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.761 ' HB2' ' CD1' ' A' ' 33' ' ' TYR . . . -66.95 131.91 46.85 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.986 -178.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.605 HG23 HG23 ' A' ' 98' ' ' VAL . 15.3 t -93.1 -33.24 14.14 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.23 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.605 HG23 HG23 ' A' ' 97' ' ' THR . 66.0 t -129.43 128.58 66.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.117 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.58 ' CG2' HG22 ' A' ' 125' ' ' VAL . 28.1 m -135.85 151.72 29.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.202 178.482 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 86.5 m -138.11 147.35 43.9 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.449 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 98.9 mtp -109.34 145.39 36.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.623 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.479 ' CD2' ' O ' ' A' ' 103' ' ' LEU . 88.7 t80 -117.47 150.46 38.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.572 -179.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.87 HD11 ' CE1' ' A' ' 128' ' ' HIS . 92.8 mt -52.76 148.38 7.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.245 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.492 ' CB ' ' O ' ' A' ' 103' ' ' LEU . 1.5 tt 84.98 91.74 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.256 -179.402 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.779 HG22 ' H ' ' A' ' 107' ' ' VAL . 95.1 m -116.36 128.99 56.01 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.356 -179.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -99.69 10.92 40.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.838 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.779 ' H ' HG22 ' A' ' 105' ' ' THR . 85.0 t -88.33 118.42 33.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.919 0.39 . . . . 0.0 110.835 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 55.3 p30 -131.8 18.87 4.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.993 179.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -71.69 -12.64 61.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.285 -179.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 60.8 mtt 58.82 95.78 0.03 OUTLIER 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 -179.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 177.21 75.09 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.575 -179.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.593 ' N ' ' CD ' ' A' ' 113' ' ' PRO . 14.8 mttt -84.45 -42.19 0.72 Allowed Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.23 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.593 ' CD ' ' N ' ' A' ' 112' ' ' LYS . 33.5 Cg_exo -57.79 -9.27 5.44 Favored 'Trans proline' 0 N--CA 1.496 1.646 0 C-N-CA 122.898 2.399 . . . . 0.0 112.538 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 23.5 pttp -58.75 -30.26 67.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.98 0.419 . . . . 0.0 111.244 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 96.9 mt -59.98 -36.82 77.96 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.395 -178.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.467 ' OE2' ' NE2' ' A' ' 160' ' ' HIS . 96.4 mt-10 -63.99 -23.74 67.45 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.966 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -99.03 -39.12 8.69 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.837 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.475 ' O ' ' CB ' ' A' ' 94' ' ' SER . 77.0 mm-40 -73.87 -52.07 14.18 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.008 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 83.8 mt -85.96 136.26 33.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.291 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -76.02 156.81 83.99 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.721 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_exo -58.53 139.45 90.7 Favored 'Trans proline' 0 N--CA 1.497 1.691 0 C-N-CA 121.531 1.488 . . . . 0.0 112.085 178.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 98.56 -7.12 61.3 Favored Glycine 0 CA--C 1.52 0.369 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 179.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 1.2 m -71.57 147.95 47.14 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 178.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -106.56 131.81 53.29 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 120.954 0.406 . . . . 0.0 111.044 -179.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.58 HG22 ' CG2' ' A' ' 99' ' ' VAL . 57.6 t -123.84 130.9 73.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.73 179.145 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 60.1 t -119.43 124.03 72.24 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.159 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.481 -179.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 64.4 m -96.9 148.99 22.38 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.476 -0.49 . . . . 0.0 110.143 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . 0.87 ' CE1' HD11 ' A' ' 103' ' ' LEU . 53.7 t-80 -58.48 -100.4 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.36 -179.282 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.562 ' N ' ' ND1' ' A' ' 128' ' ' HIS . 88.3 tt0 -107.34 -26.48 10.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.101 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -87.09 128.9 35.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.194 0.521 . . . . 0.0 111.3 -179.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -79.79 163.48 24.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.25 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 77.1 mt -97.09 114.59 34.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.176 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.437 ' C ' ' H ' ' A' ' 135' ' ' TRP . 5.8 ptm180 -67.11 155.93 37.47 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.326 -0.549 . . . . 0.0 110.3 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 76.46 -24.16 1.83 Allowed Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.734 -0.946 . . . . 0.0 110.734 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.437 ' H ' ' C ' ' A' ' 133' ' ' ARG . 10.5 m0 -100.29 147.91 25.25 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.007 0.432 . . . . 0.0 111.541 -179.286 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -104.95 115.58 62.19 Favored Pre-proline 0 CA--C 1.535 0.396 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.661 179.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -71.75 151.09 57.18 Favored 'Trans proline' 0 N--CA 1.492 1.432 0 C-N-CA 121.454 1.436 . . . . 0.0 112.332 -179.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -84.77 -50.08 7.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.284 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.536 ' OE1' ' N ' ' A' ' 140' ' ' VAL . 7.6 tp10 -131.75 124.32 29.49 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.134 -179.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.536 ' N ' ' OE1' ' A' ' 139' ' ' GLU . 58.2 t -125.8 125.22 67.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.381 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 23.8 pt -141.23 162.2 21.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 121.205 0.526 . . . . 0.0 111.737 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 22.4 mtmt -120.43 149.99 41.49 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.988 -1.005 . . . . 0.0 111.784 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 63.6 t -123.09 127.44 74.64 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.046 179.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . 0.402 ' N ' ' OE1' ' A' ' 144' ' ' GLU . 43.8 mp0 -113.68 124.4 52.22 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.955 0.407 . . . . 0.0 110.898 -179.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -149.4 156.87 42.72 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 179.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 49.73 -131.32 27.21 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.253 -1.139 . . . . 0.0 110.253 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -111.41 20.2 17.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.638 0.256 . . . . 0.0 110.321 179.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . 0.587 ' N ' ' SD ' ' A' ' 148' ' ' MET . 1.3 mpt? -141.54 157.26 45.35 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.111 -179.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -123.09 165.65 16.47 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.055 179.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -138.81 149.24 44.72 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.324 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 65.6 m -123.98 140.04 53.37 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 86.1 t -128.28 131.06 69.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.469 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -109.48 132.68 53.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.32 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 66.2 tp -114.69 123.79 50.18 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.23 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -118.11 160.3 21.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.98 0.419 . . . . 0.0 110.275 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 67.2 t -129.34 125.87 62.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.375 178.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' ILE . . . . . . . . . . . . . 39.5 mm -68.51 132.89 32.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.591 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 123.35 -42.65 1.55 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 109.975 -1.25 . . . . 0.0 109.975 -179.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -132.18 142.6 49.51 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 179.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . 0.695 ' CD2' ' H ' ' A' ' 161' ' ' LYS . 15.2 p-80 -165.41 -107.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.538 -0.465 . . . . 0.0 111.442 -179.572 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . 0.695 ' H ' ' CD2' ' A' ' 160' ' ' HIS . 37.3 ttmt -39.2 -59.58 1.01 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.779 -178.562 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.598 179.988 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.7 mmm . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.2 p -154.1 162.15 41.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.445 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 94.2 t80 -124.02 125.25 44.23 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.68 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 27.0 m -133.92 149.24 71.19 Favored Pre-proline 0 CA--C 1.534 0.335 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.105 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.49 149.02 61.61 Favored 'Trans proline' 0 N--CA 1.496 1.618 0 C-N-CA 122.034 1.823 . . . . 0.0 112.041 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -151.38 99.19 2.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.669 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.677 ' O ' HG22 ' A' ' 7' ' ' VAL . 7.2 p -141.93 58.56 8.25 Favored Pre-proline 0 C--O 1.232 0.171 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.935 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -74.1 162.06 39.63 Favored 'Trans proline' 0 C--N 1.303 -1.817 0 C-N-CA 123.185 2.59 . . . . 0.0 112.38 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -55.6 139.01 45.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.064 179.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.1 t -118.08 115.59 36.39 Favored Pre-proline 0 CA--C 1.538 0.501 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.574 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -74.52 159.79 42.44 Favored 'Trans proline' 0 N--CA 1.494 1.547 0 C-N-CA 121.673 1.582 . . . . 0.0 111.889 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 59.3 p -60.99 150.13 79.26 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.182 -179.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -70.75 164.99 33.56 Favored 'Trans proline' 0 N--CA 1.493 1.462 0 C-N-CA 122.203 1.935 . . . . 0.0 112.736 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -59.55 -27.1 65.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.1 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -58.99 -40.65 85.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.469 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 55.5 t -62.28 -46.29 96.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.322 179.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 57.3 t -63.69 -40.05 87.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.075 179.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.623 ' HE ' ' CG2' ' A' ' 45' ' ' THR . 17.5 mmt85 -59.98 -41.51 92.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.288 -179.326 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.0 mmt85 -66.59 -38.86 87.92 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.568 -0.453 . . . . 0.0 111.349 179.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 95.1 mtp -62.5 -36.79 83.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.319 0.58 . . . . 0.0 110.959 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.779 ' O ' HG12 ' A' ' 26' ' ' VAL . 93.7 mt -70.96 -40.73 71.8 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.597 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -65.78 -44.48 85.64 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -178.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.3 pt -67.11 -36.4 76.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.802 -178.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.403 ' HB1' HG13 ' A' ' 98' ' ' VAL . . . -68.34 -9.81 50.55 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 179.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt 59.92 33.65 21.54 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.639 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.779 HG12 ' O ' ' A' ' 21' ' ' LEU . 4.8 p -65.92 124.44 20.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.292 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.404 ' H ' ' HB2' ' A' ' 30' ' ' ASP . 11.0 t -114.64 173.16 6.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.977 179.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 17.8 pm0 -61.1 -21.09 63.37 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.463 -179.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -97.42 7.68 46.05 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.911 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.404 ' HB2' ' H ' ' A' ' 27' ' ' SER . 97.5 m-20 -110.87 134.92 52.14 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.195 -179.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.677 HD13 ' CE2' ' A' ' 33' ' ' TYR . 1.1 pp -85.07 154.67 3.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.18 179.34 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.567 ' N ' HD12 ' A' ' 31' ' ' ILE . 94.4 t -124.58 116.51 47.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.412 179.511 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.757 ' CD1' ' HB2' ' A' ' 96' ' ' ALA . 11.3 m-30 -113.94 124.87 53.23 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 176.576 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -146.31 150.71 36.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.761 0.315 . . . . 0.0 111.474 -179.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.472 HD12 ' H ' ' A' ' 35' ' ' LEU . 0.6 OUTLIER -111.15 8.66 21.77 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.6 179.438 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.452 ' O ' ' O ' ' A' ' 37' ' ' CYS . . . -94.4 11.4 70.34 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 -179.653 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.587 ' SG ' ' N ' ' A' ' 38' ' ' GLY . 34.8 t -50.87 -106.21 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.628 0.251 . . . . 0.0 111.031 -179.537 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.587 ' N ' ' SG ' ' A' ' 37' ' ' CYS . . . 76.9 8.19 86.59 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.389 -1.084 . . . . 0.0 110.389 -179.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.53 ' OD1' ' N ' ' A' ' 40' ' ' GLY . 54.9 p-10 -176.15 -23.57 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.067 0.461 . . . . 0.0 110.203 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.577 ' N ' ' SG ' ' A' ' 37' ' ' CYS . . . 90.3 -4.5 82.67 Favored Glycine 0 C--O 1.217 -0.957 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 179.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.511 ' NH2' ' OD2' ' A' ' 39' ' ' ASP . 39.4 ttp-105 -57.94 -37.2 73.68 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.156 -0.618 . . . . 0.0 110.182 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.629 HG23 HG23 ' A' ' 43' ' ' ILE . 17.1 tt -60.51 -43.65 94.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.443 -0.798 . . . . 0.0 111.484 -179.116 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.629 HG23 HG23 ' A' ' 42' ' ' ILE . 34.8 pt -90.3 -30.48 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -179.243 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 70.3 mt -61.88 -42.3 94.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 111.703 0.26 . . . . 0.0 111.703 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.623 ' CG2' ' HE ' ' A' ' 18' ' ' ARG . 85.6 m -64.46 -24.06 67.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.214 0.531 . . . . 0.0 110.13 179.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.561 ' O ' ' N ' ' A' ' 50' ' ' PHE . . . -73.92 -66.45 0.71 Allowed 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.884 178.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.34 -39.15 82.25 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.437 -178.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -62.92 -46.18 89.01 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.803 -0.359 . . . . 0.0 111.336 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -105.11 -53.83 2.59 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -178.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.561 ' N ' ' O ' ' A' ' 46' ' ' ALA . 53.2 m-85 -72.04 -6.97 46.16 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -178.527 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 60.0 t30 49.18 35.24 7.01 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.503 -0.479 . . . . 0.0 111.545 178.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.702 HG21 ' HB2' ' A' ' 55' ' ' ALA . 24.6 m -44.61 165.53 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 CA-C-O 121.278 0.561 . . . . 0.0 110.877 -179.088 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -74.17 -50.22 20.22 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.223 -0.899 . . . . 0.0 108.959 177.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.7 ttpt -148.23 125.5 11.53 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 114.839 -1.073 . . . . 0.0 109.368 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.702 ' HB2' HG21 ' A' ' 52' ' ' VAL . . . -116.04 124.85 51.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.939 0.399 . . . . 0.0 110.04 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 73.9 t -131.62 135.52 58.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.059 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -114.13 135.7 12.69 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.253 -1.139 . . . . 0.0 110.253 178.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 94.5 t -105.52 123.0 59.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -170.96 147.73 2.7 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.763 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.641 ' O ' HG23 ' A' ' 60' ' ' ILE . 20.4 tt -134.02 116.16 22.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.041 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.696 ' H ' HD13 ' A' ' 65' ' ' ILE . 27.1 m120 -149.3 -176.21 5.28 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.469 ' O ' HG22 ' A' ' 65' ' ' ILE . 66.4 t0 -111.45 -70.26 0.82 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.968 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -70.2 -38.93 75.43 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.499 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 84.1 mtt85 -80.14 -7.96 59.18 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.568 -179.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.696 HD13 ' H ' ' A' ' 61' ' ' ASN . 4.9 tp -65.23 -37.23 79.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.232 -0.587 . . . . 0.0 110.708 -179.239 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -81.46 -27.98 34.36 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.741 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -61.73 -47.86 83.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.199 -179.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.66 -41.23 94.61 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 -178.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.49 HD23 HD11 ' A' ' 83' ' ' ILE . 27.0 mt -61.54 -39.97 92.99 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.183 0.516 . . . . 0.0 110.236 179.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.24 -39.34 92.52 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.953 -179.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -60.54 -42.93 97.51 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.176 -0.61 . . . . 0.0 111.181 -178.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.9 mp -55.5 -47.02 79.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.438 -0.505 . . . . 0.0 111.008 -178.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -63.9 -40.56 96.79 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.255 -0.578 . . . . 0.0 109.99 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -56.85 -39.2 73.86 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.056 -178.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 32.7 m120 -93.61 3.59 55.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.66 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 49.23 43.42 33.58 Favored Glycine 0 CA--C 1.528 0.857 0 C-N-CA 121.045 -0.598 . . . . 0.0 112.173 177.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 4.5 m -110.25 17.53 7.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.763 0.281 . . . . 0.0 111.462 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.5 p -48.36 160.88 0.14 Allowed 'General case' 0 CA--C 1.514 -0.409 0 CA-C-O 121.579 0.704 . . . . 0.0 111.424 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 79.69 -27.01 2.62 Favored Glycine 0 N--CA 1.446 -0.658 0 CA-C-N 114.608 -1.178 . . . . 0.0 111.414 178.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.551 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 34.0 mtp85 -107.01 -24.95 11.81 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-O 120.864 0.364 . . . . 0.0 110.195 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -117.31 128.89 55.51 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.653 -179.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 60.4 m -141.82 160.54 39.97 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.409 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.49 HD11 HD23 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -128.41 138.37 54.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.518 178.641 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 90.1 t -125.99 129.68 72.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.11 -179.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -96.93 153.64 17.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.008 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 130.01 -162.32 23.03 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.216 -1.154 . . . . 0.0 110.216 -179.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -98.95 125.48 44.41 Favored 'General case' 0 C--N 1.33 -0.283 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.661 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -51.22 -26.59 7.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.865 -179.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -61.07 -48.56 81.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.255 0.55 . . . . 0.0 109.766 179.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.55 -39.05 93.41 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.157 -0.928 . . . . 0.0 110.835 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 87.8 t -70.09 131.06 34.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.763 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -91.62 129.38 37.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.157 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 37.9 pt -123.48 13.79 5.2 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.753 -179.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 88.1 p -58.52 -32.94 69.32 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.419 -0.513 . . . . 0.0 111.136 -179.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.529 ' OE2' ' CZ ' ' A' ' 33' ' ' TYR . 2.2 pp20? -73.35 -15.87 61.37 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.803 -179.284 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.757 ' HB2' ' CD1' ' A' ' 33' ' ' TYR . . . -67.83 131.32 45.31 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.533 -0.467 . . . . 0.0 111.859 -178.28 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.751 HG23 HG23 ' A' ' 98' ' ' VAL . 15.2 t -94.1 -30.74 14.5 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.552 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.751 HG23 HG23 ' A' ' 97' ' ' THR . 69.1 t -126.32 125.16 67.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.579 179.524 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.415 ' CG1' ' N ' ' A' ' 100' ' ' THR . 42.0 t -138.53 151.54 24.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.116 0.484 . . . . 0.0 111.469 -179.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.439 HG21 HD11 ' A' ' 42' ' ' ILE . 8.3 t -129.55 148.18 51.43 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.105 178.581 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 26.6 ttt -115.26 123.76 49.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.032 0.444 . . . . 0.0 111.044 -178.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.612 ' O ' HD22 ' A' ' 103' ' ' LEU . 90.6 t80 -135.57 111.13 9.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.215 179.474 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.612 HD22 ' O ' ' A' ' 102' ' ' PHE . 0.3 OUTLIER -139.99 134.22 31.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.548 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 60.5 tp -61.77 -44.15 97.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.135 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 15.4 t -150.03 160.52 43.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.568 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.564 HD21 ' C ' ' A' ' 109' ' ' GLU . 64.2 t30 -88.07 99.73 12.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.602 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.3 p -72.13 -33.29 46.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.212 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.521 ' O ' ' ND2' ' A' ' 106' ' ' ASN . 4.3 t-20 -118.72 -149.55 0.44 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.971 -179.19 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.564 ' C ' HD21 ' A' ' 106' ' ' ASN . 99.4 mt-10 -58.77 147.69 32.39 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.182 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.474 ' N ' HD21 ' A' ' 106' ' ' ASN . 99.0 mtp -71.94 -39.12 69.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.2 0.524 . . . . 0.0 110.332 178.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.457 HD12 ' N ' ' A' ' 111' ' ' LEU . 10.8 mp -81.87 147.83 29.11 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.663 -178.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -130.1 72.78 81.81 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.245 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.77 -13.61 34.9 Favored 'Trans proline' 0 N--CA 1.495 1.606 0 C-N-CA 122.133 1.888 . . . . 0.0 111.869 -179.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.456 ' HD3' ' H ' ' A' ' 114' ' ' LYS . 3.0 mptp? -59.79 -34.16 72.65 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.249 179.687 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 98.7 mt -59.58 -35.53 74.47 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.408 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -62.88 -24.52 67.85 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.764 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -97.14 -39.79 9.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.9 179.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -76.23 -52.91 9.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.349 -178.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.771 HD23 HG21 ' A' ' 123' ' ' THR . 6.7 mp -82.62 132.21 35.19 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 179.323 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -73.99 152.04 88.58 Favored Pre-proline 0 C--N 1.327 -0.406 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.682 -179.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_exo -53.12 137.72 62.86 Favored 'Trans proline' 0 N--CA 1.494 1.536 0 C-N-CA 121.542 1.495 . . . . 0.0 111.867 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 100.95 -4.25 55.99 Favored Glycine 0 CA--C 1.52 0.403 0 N-CA-C 111.396 -0.682 . . . . 0.0 111.396 179.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . 0.771 HG21 HD23 ' A' ' 119' ' ' LEU . 6.0 m -70.57 145.96 50.43 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 178.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -96.11 124.74 40.24 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 59.8 t -121.74 125.81 73.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.559 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 57.7 t -120.53 122.32 67.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.319 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 49.2 m -91.18 159.43 16.07 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.073 179.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . 0.53 ' CG ' ' N ' ' A' ' 129' ' ' GLU . 19.1 t-160 -70.65 -103.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.563 -179.401 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.53 ' N ' ' CG ' ' A' ' 128' ' ' HIS . 52.7 tp10 -102.16 -37.78 7.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.509 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -76.33 139.83 41.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.238 -179.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -84.21 163.65 19.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.309 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 65.5 mt -93.83 117.87 38.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 13.9 mtt-85 -78.78 145.03 34.59 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.111 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 86.81 -21.89 16.89 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 23.2 m0 -108.34 152.68 24.32 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-O 120.869 0.366 . . . . 0.0 110.67 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -105.92 118.46 55.12 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.939 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.67 148.34 58.96 Favored 'Trans proline' 0 N--CA 1.491 1.343 0 C-N-CA 121.205 1.27 . . . . 0.0 111.736 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -82.98 -48.48 10.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.023 0.44 . . . . 0.0 109.912 179.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -143.06 130.01 20.59 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.603 -179.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.706 HG21 ' CE2' ' A' ' 153' ' ' TYR . 12.4 p -141.47 135.55 31.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.948 0.404 . . . . 0.0 110.28 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 23.7 pt -141.01 168.29 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.627 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -119.72 150.8 39.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.616 179.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 58.1 t -126.51 129.57 71.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.486 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -110.0 119.37 39.11 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -139.07 97.44 3.3 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.526 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 96.74 -120.47 6.69 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -114.56 15.76 17.7 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 120.71 0.29 . . . . 0.0 110.569 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 63.8 mtt -140.45 157.89 44.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.355 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 55.3 p30 -124.29 164.43 19.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.131 0.491 . . . . 0.0 110.698 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -136.57 144.75 44.34 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.9 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 27.2 m -123.12 140.15 53.32 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.608 ' O ' HG23 ' A' ' 140' ' ' VAL . 87.8 t -131.54 132.2 62.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.738 0.304 . . . . 0.0 110.896 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . 0.706 ' CE2' HG21 ' A' ' 140' ' ' VAL . 90.3 m-85 -107.5 133.58 51.78 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.326 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 68.8 tp -114.61 126.31 54.76 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . 0.44 ' OH ' ' O ' ' A' ' 159' ' ' GLU . 70.2 t80 -144.43 133.42 22.69 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.482 -179.326 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 7.4 p -99.75 140.54 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.035 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' ILE . . . . . . . . . . . . . 48.0 mm -73.19 133.37 31.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.72 -179.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 145.9 -31.0 1.63 Allowed Glycine 0 CA--C 1.527 0.821 0 N-CA-C 111.479 -0.648 . . . . 0.0 111.479 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . 0.44 ' O ' ' OH ' ' A' ' 155' ' ' TYR . 99.1 mt-10 -144.98 100.14 3.44 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 179.184 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . 0.52 ' ND1' ' O ' ' A' ' 160' ' ' HIS . 32.7 p80 -119.4 120.19 36.14 Favored 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 121.058 -0.257 . . . . 0.0 111.08 -179.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt 168.94 169.29 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.014 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.542 179.911 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.2 tpt . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.7 m -126.57 150.48 48.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.414 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -109.72 133.86 52.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.654 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.42 HG22 ' H ' ' A' ' 4' ' ' VAL . 19.4 m -71.29 149.44 94.11 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.934 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -70.06 110.63 2.66 Favored 'Trans proline' 0 N--CA 1.493 1.444 0 C-N-CA 121.81 1.673 . . . . 0.0 112.17 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.494 ' CG ' HG23 ' A' ' 7' ' ' VAL . 11.5 t-160 -67.81 139.12 56.57 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.693 -179.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.494 HG23 ' CG ' ' A' ' 6' ' ' HIS . 7.4 t 49.91 70.29 2.14 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.014 179.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -57.49 145.74 87.08 Favored 'Trans proline' 0 C--N 1.304 -1.803 0 C-N-CA 123.069 2.513 . . . . 0.0 112.079 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -109.63 123.09 48.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.206 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.1 p -134.51 135.84 24.49 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.674 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -75.55 162.09 36.22 Favored 'Trans proline' 0 N--CA 1.492 1.433 0 C-N-CA 122.101 1.868 . . . . 0.0 111.801 179.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 48.4 p -67.51 157.62 85.22 Favored Pre-proline 0 C--N 1.329 -0.314 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.049 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -56.68 146.3 77.47 Favored 'Trans proline' 0 N--CA 1.496 1.64 0 C-N-CA 121.616 1.544 . . . . 0.0 112.024 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.71 -24.34 63.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.01 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -60.56 -39.25 87.3 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 57.3 t -60.92 -46.54 96.27 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.991 -179.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -69.64 -29.31 40.8 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.143 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.492 -179.36 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.55 HH22 ' CG ' ' A' ' 49' ' ' ASP . 18.3 mmt180 -62.24 -40.87 97.6 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.189 179.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.3 mmt180 -70.0 -39.38 75.9 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.582 ' HG2' HG11 ' A' ' 152' ' ' VAL . 76.1 mtm -64.44 -34.4 78.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.116 0.484 . . . . 0.0 110.869 -179.451 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 86.6 mt -70.24 -40.31 74.51 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.601 179.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -63.64 -44.14 94.73 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -179.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.521 ' HB ' HD22 ' A' ' 154' ' ' LEU . 35.4 pt -72.83 -32.09 38.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.373 -178.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 25' ' ' LYS . . . -81.81 31.35 0.36 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.125 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.43 ' H ' ' C ' ' A' ' 23' ' ' ILE . 11.0 tptp 28.21 61.53 0.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.252 -0.885 . . . . 0.0 112.267 178.371 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.459 HG13 ' OD2' ' A' ' 30' ' ' ASP . 54.9 t -91.74 111.86 24.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.099 179.627 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.541 ' N ' ' OD2' ' A' ' 30' ' ' ASP . 70.4 m -112.04 165.33 12.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.092 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -59.4 -19.84 50.29 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.902 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -98.03 2.65 49.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.053 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.541 ' OD2' ' N ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -108.77 139.42 43.61 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.24 -179.183 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.651 HD13 ' CE2' ' A' ' 33' ' ' TYR . 1.2 pp -89.28 154.4 3.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.842 0.353 . . . . 0.0 110.704 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.487 ' N ' HD12 ' A' ' 31' ' ' ILE . 85.4 t -123.8 118.7 54.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.625 179.325 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.792 ' CD1' ' HB2' ' A' ' 96' ' ' ALA . 9.6 m-30 -115.31 99.65 7.55 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 177.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.653 ' HB1' HD13 ' A' ' 42' ' ' ILE . . . -93.76 121.26 35.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.952 0.406 . . . . 0.0 110.549 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.612 HD12 ' HG2' ' A' ' 101' ' ' MET . 91.5 mt -63.12 -36.18 82.73 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -178.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -134.98 98.47 0.3 Allowed Glycine 0 CA--C 1.528 0.866 0 C-N-CA 120.486 -0.864 . . . . 0.0 112.484 -179.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.504 ' SG ' ' N ' ' A' ' 38' ' ' GLY . 22.4 p -85.05 -58.5 2.66 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 121.064 -0.255 . . . . 0.0 111.135 178.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.504 ' N ' ' SG ' ' A' ' 37' ' ' CYS . . . 80.17 10.09 85.88 Favored Glycine 0 CA--C 1.529 0.932 0 C-N-CA 121.022 -0.609 . . . . 0.0 111.766 179.537 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.422 ' CB ' ' O ' ' A' ' 38' ' ' GLY . 1.0 OUTLIER 166.1 -13.59 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 116.869 0.335 . . . . 0.0 111.235 179.709 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.428 ' H ' ' HB2' ' A' ' 37' ' ' CYS . . . 91.94 -7.07 79.29 Favored Glycine 0 C--O 1.22 -0.728 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 60.5 ttm-85 -56.6 -28.79 61.17 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.352 0.596 . . . . 0.0 109.961 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.653 HD13 ' HB1' ' A' ' 34' ' ' ALA . 13.8 tt -67.0 -43.51 89.05 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.334 -179.424 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.618 HG23 HG23 ' A' ' 42' ' ' ILE . 34.9 pt -91.87 -29.0 4.62 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -178.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 73.6 mt -61.27 -41.93 91.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.605 -0.271 . . . . 0.0 111.439 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 97.1 m -65.92 -22.95 66.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.215 0.531 . . . . 0.0 109.936 179.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.725 ' HB1' HG11 ' A' ' 52' ' ' VAL . . . -74.25 -67.74 0.59 Allowed 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.997 179.138 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.41 ' HA ' HG22 ' A' ' 52' ' ' VAL . . . -59.59 -38.02 80.11 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.498 -178.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -63.43 -45.62 90.07 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.266 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.55 ' CG ' HH22 ' A' ' 18' ' ' ARG . 33.8 t70 -106.6 -53.3 2.64 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -178.53 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.563 ' N ' ' O ' ' A' ' 46' ' ' ALA . 45.2 m-85 -69.9 -7.65 42.13 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.697 -0.401 . . . . 0.0 111.976 -178.634 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.534 ' OD1' ' NH2' ' A' ' 80' ' ' ARG . 55.3 t30 51.34 31.42 7.1 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.985 178.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.725 HG11 ' HB1' ' A' ' 46' ' ' ALA . 9.0 m -43.13 164.73 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.571 0 CA-C-O 121.223 0.535 . . . . 0.0 110.743 -179.049 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.4 ttmt -77.02 -50.38 13.25 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.32 178.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -145.81 129.05 16.72 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 114.64 -1.164 . . . . 0.0 109.45 -179.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.677 ' HB2' HG21 ' A' ' 52' ' ' VAL . . . -123.3 128.0 49.33 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.966 0.412 . . . . 0.0 110.796 -179.563 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.6 t -134.41 137.07 52.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -119.2 132.39 9.57 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 109.856 -1.297 . . . . 0.0 109.856 178.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 59.9 t -95.46 122.51 47.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 C-N-CA 120.267 -0.573 . . . . 0.0 109.643 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.455 ' HG3' ' H ' ' A' ' 38' ' ' GLY . 0.5 OUTLIER -163.05 139.15 7.08 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.908 -179.761 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.649 ' O ' HG23 ' A' ' 60' ' ' ILE . 18.8 tt -132.94 114.15 21.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.751 -0.658 . . . . 0.0 109.359 179.067 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.433 ' OD1' ' O ' ' A' ' 60' ' ' ILE . 81.9 m-20 -149.41 -173.76 4.48 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 -179.699 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.522 ' O ' HG22 ' A' ' 65' ' ' ILE . 16.3 t70 -114.4 -70.03 0.82 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.728 0.299 . . . . 0.0 110.786 179.651 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -71.69 -38.9 70.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.042 0.449 . . . . 0.0 111.245 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -80.84 -7.83 59.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.849 -178.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.522 HG22 ' O ' ' A' ' 62' ' ' ASP . 11.7 tt -65.91 -36.79 78.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 C-N-CA 119.96 -0.696 . . . . 0.0 110.523 -179.144 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.403 ' N ' ' CG2' ' A' ' 65' ' ' ILE . 7.8 ptm180 -78.24 -26.78 47.47 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.921 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -61.25 -49.37 77.38 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.479 -0.488 . . . . 0.0 111.054 -179.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.36 -40.07 92.95 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -178.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.451 HD23 HD11 ' A' ' 83' ' ' ILE . 29.4 mt -61.6 -40.73 95.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.162 0.506 . . . . 0.0 110.171 179.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.32 -38.64 91.94 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.507 -0.769 . . . . 0.0 111.874 -179.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 31.4 m120 -60.1 -44.55 94.74 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.332 -0.547 . . . . 0.0 111.03 -178.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.8 mp -55.76 -46.56 79.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.536 -0.466 . . . . 0.0 111.116 -178.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -63.73 -40.56 97.05 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.193 -0.603 . . . . 0.0 109.919 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -56.83 -39.52 74.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.342 -179.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -92.88 4.03 54.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.325 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 48.85 42.26 29.11 Favored Glycine 0 CA--C 1.526 0.771 0 C-N-CA 121.13 -0.557 . . . . 0.0 112.03 177.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 4.1 m -109.19 16.29 7.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.835 0.318 . . . . 0.0 111.334 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.4 p -46.23 162.83 0.04 OUTLIER 'General case' 0 CA--C 1.515 -0.389 0 CA-C-O 121.435 0.636 . . . . 0.0 111.192 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 77.21 -35.17 1.51 Allowed Glycine 0 N--CA 1.448 -0.563 0 CA-C-N 114.925 -1.034 . . . . 0.0 111.165 178.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.534 ' NH2' ' OD1' ' A' ' 51' ' ' ASN . 15.8 mtp180 -98.52 -23.63 15.45 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.224 -179.487 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -122.08 132.04 54.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.644 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.2 t -146.49 163.56 35.32 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.471 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.451 HD11 HD23 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -128.84 139.84 50.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.193 179.251 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 89.7 t -125.83 129.41 72.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.004 -179.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 11.3 ptpt -94.01 146.07 24.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.132 179.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.441 ' H ' ' HB ' ' A' ' 60' ' ' ILE . . . 135.5 -168.86 23.68 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.511 -1.035 . . . . 0.0 110.511 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -100.06 128.93 46.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.903 0.382 . . . . 0.0 110.613 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -45.16 -26.2 0.44 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.301 -179.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -61.34 -47.95 83.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.309 0.576 . . . . 0.0 110.109 178.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.57 -40.84 98.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.868 -179.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -84.33 151.12 3.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.538 -0.465 . . . . 0.0 111.023 -179.195 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -106.4 135.03 48.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.351 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 45.7 pt -122.77 15.26 5.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.141 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 88.1 p -59.71 -32.47 70.55 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.539 -0.465 . . . . 0.0 110.978 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.534 ' OE2' ' CZ ' ' A' ' 33' ' ' TYR . 2.2 pp20? -74.43 -17.74 60.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.862 0.363 . . . . 0.0 110.853 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.792 ' HB2' ' CD1' ' A' ' 33' ' ' TYR . . . -68.63 136.12 52.49 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.387 -178.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.524 HG23 HG23 ' A' ' 98' ' ' VAL . 11.1 t -97.24 -31.33 12.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.456 179.5 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.524 HG23 HG23 ' A' ' 97' ' ' THR . 73.8 t -129.76 128.81 65.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.074 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.431 HG12 ' HB2' ' A' ' 33' ' ' TYR . 19.6 m -135.89 151.17 28.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.578 178.612 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 72.1 p -135.52 161.01 36.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.649 179.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.612 ' HG2' HD12 ' A' ' 35' ' ' LEU . 65.4 mtt -126.54 145.74 50.4 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.003 0.43 . . . . 0.0 110.914 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -135.92 132.86 37.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.391 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.0 mt -56.3 124.94 19.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.92 0.391 . . . . 0.0 111.124 -178.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 88.6 mt -145.34 -74.67 0.23 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.143 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 93.9 m -124.04 130.32 52.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.561 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -71.41 149.58 45.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.585 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.513 HG22 ' H ' ' A' ' 109' ' ' GLU . 10.6 p -132.47 139.66 49.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.519 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -62.14 -39.72 93.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.97 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.513 ' H ' HG22 ' A' ' 107' ' ' VAL . 99.7 mt-10 -113.27 117.27 31.39 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.923 0.392 . . . . 0.0 110.798 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 72.8 mtm -71.16 -33.82 70.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.244 179.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 89.6 mt 56.33 65.46 1.42 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.179 179.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.599 ' N ' ' CD ' ' A' ' 113' ' ' PRO . 18.1 mttt -85.25 -40.92 0.64 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.263 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 112' ' ' LYS . 52.4 Cg_exo -57.17 -33.3 95.66 Favored 'Trans proline' 0 N--CA 1.499 1.808 0 C-N-CA 122.675 2.25 . . . . 0.0 112.648 -178.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt -61.83 -33.86 74.9 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.89 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 95.8 mt -58.74 -37.35 76.01 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.402 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -63.31 -23.79 67.57 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.004 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -99.86 -40.15 7.84 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.092 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -70.86 -51.51 26.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.796 0.331 . . . . 0.0 110.473 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.425 HD13 HG21 ' A' ' 123' ' ' THR . 86.0 mt -85.24 132.45 34.27 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.28 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -70.23 151.54 95.85 Favored Pre-proline 0 C--N 1.327 -0.411 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -58.18 142.04 96.95 Favored 'Trans proline' 0 C--N 1.31 -1.491 0 C-N-CA 121.299 1.333 . . . . 0.0 111.267 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 99.45 -5.87 58.97 Favored Glycine 0 CA--C 1.521 0.465 0 N-CA-C 110.702 -0.959 . . . . 0.0 110.702 -179.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . 0.425 HG21 HD13 ' A' ' 119' ' ' LEU . 5.8 m -72.53 145.9 47.15 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 178.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.406 ' NH2' ' CB ' ' A' ' 25' ' ' LYS . 0.8 OUTLIER -105.85 132.2 52.25 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.027 0.442 . . . . 0.0 110.733 -179.62 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 58.0 t -123.22 128.68 75.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.894 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 57.7 t -119.16 123.35 71.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.774 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 48.8 m -92.62 160.62 14.93 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.56 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . 0.601 ' ND1' ' N ' ' A' ' 129' ' ' GLU . 56.3 t-80 -69.4 -104.49 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.195 -179.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.601 ' N ' ' ND1' ' A' ' 128' ' ' HIS . 88.4 tt0 -102.66 -37.66 7.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.103 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -73.99 144.62 45.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.348 -179.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -90.88 165.02 13.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.541 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 56.0 mt -95.06 113.32 29.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -77.56 149.93 34.81 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.107 -0.637 . . . . 0.0 110.164 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 82.65 -16.21 26.76 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 179.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.46 ' CZ3' ' CE2' ' A' ' 155' ' ' TYR . 7.8 m0 -112.18 155.09 24.52 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.965 0.412 . . . . 0.0 111.258 -179.522 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -105.93 113.62 63.55 Favored Pre-proline 0 CA--C 1.538 0.486 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.333 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.29 151.43 54.4 Favored 'Trans proline' 0 N--CA 1.494 1.545 0 C-N-CA 121.572 1.515 . . . . 0.0 111.891 -179.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -86.49 -50.86 6.56 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.803 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -132.8 124.27 27.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.797 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 60.0 t -128.29 127.7 67.65 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.728 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 30.1 pt -140.26 164.13 22.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 121.3 0.571 . . . . 0.0 111.457 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.462 ' HG3' HG23 ' A' ' 151' ' ' THR . 23.0 mtpt -126.01 148.63 49.25 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.962 -1.017 . . . . 0.0 111.084 179.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 62.3 t -127.05 130.66 71.25 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.678 0 CA-C-N 114.805 -1.089 . . . . 0.0 108.868 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -107.26 125.39 51.09 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 179.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.547 ' C ' ' H ' ' A' ' 147' ' ' ASN . 15.8 t0 -113.16 156.26 23.53 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 121.737 0.78 . . . . 0.0 111.297 -178.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -46.94 -1.48 0.01 OUTLIER Glycine 0 CA--C 1.524 0.596 0 CA-C-N 114.122 -1.399 . . . . 0.0 113.665 -178.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . 0.547 ' H ' ' C ' ' A' ' 145' ' ' ASP . 25.2 m120 -137.45 -49.29 0.6 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 117.438 0.619 . . . . 0.0 110.828 178.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 97.6 mtp -144.59 164.95 29.39 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.377 -178.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 49.1 p30 -108.48 160.54 15.82 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.362 0.601 . . . . 0.0 110.956 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 -136.83 141.03 42.85 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.912 -179.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.462 HG23 ' HG3' ' A' ' 142' ' ' LYS . 32.6 m -121.44 139.03 54.0 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 179.123 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.582 HG11 ' HG2' ' A' ' 20' ' ' MET . 47.8 t -133.44 136.02 55.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.923 -179.182 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -106.74 133.8 50.85 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.776 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.521 HD22 ' HB ' ' A' ' 23' ' ' ILE . 63.1 tp -114.79 130.8 56.92 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.232 -0.894 . . . . 0.0 109.32 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . 0.46 ' CE2' ' CZ3' ' A' ' 135' ' ' TRP . 92.0 t80 -140.15 133.32 29.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.095 0.474 . . . . 0.0 111.704 -179.349 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 98.9 t -102.79 131.15 51.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.215 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' ILE . . . . . . . . . . . . . 47.3 mm -68.5 132.09 33.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.29 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 140.08 -39.13 1.53 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . 0.455 ' O ' ' OH ' ' A' ' 155' ' ' TYR . 99.2 mt-10 -135.53 118.02 15.83 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 179.165 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . 0.41 ' CG ' ' N ' ' A' ' 161' ' ' LYS . 52.3 p-80 -110.81 -144.36 0.39 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.215 -179.433 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . 0.41 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 30.6 ttpt -35.94 -51.15 0.7 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.079 -178.602 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.948 -1.025 . . . . 0.0 110.563 -179.999 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.5 mtm . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.8 m -127.83 152.26 48.02 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.739 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -107.83 147.91 30.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.359 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.401 HG22 ' H ' ' A' ' 4' ' ' VAL . 17.3 m -64.3 148.62 95.73 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.204 -179.582 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -70.71 154.97 63.66 Favored 'Trans proline' 0 N--CA 1.495 1.575 0 C-N-CA 122.352 2.035 . . . . 0.0 112.442 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -111.66 119.54 39.01 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 179.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.629 ' O ' HG13 ' A' ' 7' ' ' VAL . 7.0 p -129.29 84.27 62.88 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.824 -178.39 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.587 ' O ' HG13 ' A' ' 10' ' ' VAL . 52.4 Cg_exo -56.51 150.41 51.73 Favored 'Trans proline' 0 N--CA 1.495 1.568 0 C-N-CA 122.585 2.19 . . . . 0.0 111.211 179.137 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -53.27 122.55 9.78 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.324 -179.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.72 ' O ' HG23 ' A' ' 10' ' ' VAL . 31.1 m -114.18 107.17 52.17 Favored Pre-proline 0 CA--C 1.536 0.404 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.129 -179.315 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.467 ' CB ' ' NH2' ' A' ' 41' ' ' ARG . 61.6 Cg_exo -53.52 144.76 50.18 Favored 'Trans proline' 0 N--CA 1.496 1.641 0 C-N-CA 121.597 1.531 . . . . 0.0 110.878 178.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.1 p -65.66 156.59 82.4 Favored Pre-proline 0 CA--C 1.535 0.384 0 C-N-CA 120.554 -0.459 . . . . 0.0 110.675 -178.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -58.62 150.63 68.42 Favored 'Trans proline' 0 N--CA 1.497 1.708 0 C-N-CA 121.944 1.763 . . . . 0.0 112.46 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 53.3 mp0 -61.06 -17.37 52.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.708 179.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 59.9 mtpt -59.17 -38.14 79.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.465 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 73.9 t -61.52 -44.61 98.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.669 179.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 66.5 t -63.11 -39.73 86.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.787 178.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.535 ' NH2' ' OD2' ' A' ' 49' ' ' ASP . 9.3 mmm180 -60.13 -40.63 90.43 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.686 -179.541 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.7 mmt180 -68.59 -40.14 80.64 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.525 -0.47 . . . . 0.0 112.146 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 76.4 mtm -63.37 -35.87 81.82 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.048 0.451 . . . . 0.0 110.386 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 87.5 mt -68.22 -40.55 82.05 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.683 -0.689 . . . . 0.0 112.099 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -64.24 -44.45 91.77 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -178.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.417 ' C ' ' H ' ' A' ' 25' ' ' LYS . 37.7 pt -71.56 -29.89 36.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.214 -178.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.532 ' HB1' HG13 ' A' ' 98' ' ' VAL . . . -82.44 29.25 0.44 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.268 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.417 ' H ' ' C ' ' A' ' 23' ' ' ILE . 45.6 mmtm 32.38 53.36 0.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.856 177.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 93.7 t -85.04 108.45 16.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.201 0.524 . . . . 0.0 111.015 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.461 ' H ' ' HB2' ' A' ' 30' ' ' ASP . 70.6 m -110.8 165.63 11.68 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.494 179.426 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -58.96 -19.34 42.2 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.901 -179.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -96.32 -2.04 46.65 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.181 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.461 ' HB2' ' H ' ' A' ' 27' ' ' SER . 97.2 m-20 -106.23 142.05 36.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.809 0.337 . . . . 0.0 110.691 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.563 HD11 ' HA ' ' A' ' 96' ' ' ALA . 1.4 pp -92.62 157.95 2.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.531 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.448 ' N ' HD12 ' A' ' 31' ' ' ILE . 95.6 t -123.17 119.08 56.69 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.14 0 CA-C-O 121.125 0.488 . . . . 0.0 111.264 179.353 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.539 ' CZ ' ' OE2' ' A' ' 95' ' ' GLU . 2.1 m-30 -116.65 113.94 23.38 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 178.274 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -134.06 148.09 51.0 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.637 -178.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.469 HD12 ' H ' ' A' ' 35' ' ' LEU . 0.6 OUTLIER -110.34 6.34 22.28 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.324 179.592 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.46 ' O ' ' O ' ' A' ' 37' ' ' CYS . . . -94.46 11.51 70.1 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.585 ' SG ' ' N ' ' A' ' 40' ' ' GLY . 20.0 t -45.81 -100.74 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.635 0.255 . . . . 0.0 111.001 -179.4 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.542 ' N ' ' SG ' ' A' ' 37' ' ' CYS . . . 74.85 8.06 81.75 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.428 -1.069 . . . . 0.0 110.428 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 177.25 -20.14 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.808 0.337 . . . . 0.0 110.813 -179.602 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.585 ' N ' ' SG ' ' A' ' 37' ' ' CYS . . . 90.59 -6.76 82.08 Favored Glycine 0 C--O 1.217 -0.927 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.467 ' NH2' ' CB ' ' A' ' 11' ' ' PRO . 21.2 ptp180 -59.31 -21.5 59.82 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.998 -179.404 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.624 HG23 HG23 ' A' ' 43' ' ' ILE . 17.3 tt -76.24 -43.1 37.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.624 HG23 HG23 ' A' ' 42' ' ' ILE . 35.9 pt -90.03 -29.59 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -179.388 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.43 ' CD1' ' CG ' ' A' ' 71' ' ' ASN . 74.7 mt -62.31 -41.99 93.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 111.489 0.181 . . . . 0.0 111.489 179.521 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 98.9 m -65.44 -25.0 67.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.194 0.521 . . . . 0.0 109.746 179.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.649 ' HB1' HG11 ' A' ' 52' ' ' VAL . . . -72.05 -67.45 0.54 Allowed 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.891 179.105 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.57 -38.31 80.79 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.604 -179.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -63.35 -45.0 93.23 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.4 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.535 ' OD2' ' NH2' ' A' ' 18' ' ' ARG . 66.8 t0 -108.23 -52.69 2.73 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -178.507 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.556 ' N ' ' O ' ' A' ' 46' ' ' ALA . 47.7 m-85 -71.13 -7.85 49.46 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -178.506 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 57.9 t30 50.65 33.68 8.58 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.506 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.692 HG21 ' HB2' ' A' ' 55' ' ' ALA . 17.6 m -44.09 163.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.309 0.576 . . . . 0.0 111.339 -178.67 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -73.68 -50.44 20.88 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.106 -0.952 . . . . 0.0 108.874 177.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.2 ttpt -148.66 129.67 14.41 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.043 -0.98 . . . . 0.0 109.434 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.692 ' HB2' HG21 ' A' ' 52' ' ' VAL . . . -121.56 130.44 53.52 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.998 0.427 . . . . 0.0 110.321 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 64.9 t -134.85 135.13 53.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.09 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -110.22 130.32 9.82 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.48 -1.048 . . . . 0.0 110.48 178.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 84.7 t -101.69 123.18 54.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.117 -0.698 . . . . 0.0 109.117 179.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -170.97 148.32 2.78 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.32 -0.552 . . . . 0.0 110.971 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.662 ' O ' HG23 ' A' ' 60' ' ' ILE . 20.5 tt -132.67 114.69 23.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 178.697 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.408 ' OD1' ' CA ' ' A' ' 65' ' ' ILE . 33.0 p30 -151.06 177.51 10.11 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.522 ' O ' HG22 ' A' ' 65' ' ' ILE . 98.5 m-20 -108.6 -69.85 0.83 Allowed 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.846 -0.342 . . . . 0.0 111.458 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.438 ' O ' ' OE1' ' A' ' 67' ' ' GLU . 61.4 mp0 -68.96 -39.09 79.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.69 -179.062 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -76.52 -7.63 55.54 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.579 -178.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.522 HG22 ' O ' ' A' ' 62' ' ' ASP . 3.1 tp -59.95 -39.99 81.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.516 -179.254 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.476 ' N ' ' CG2' ' A' ' 65' ' ' ILE . 8.3 ptp180 -78.75 -25.23 44.49 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.503 -179.162 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.438 ' OE1' ' O ' ' A' ' 63' ' ' GLU . 4.6 mp0 -62.71 -55.12 29.6 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.32 -0.552 . . . . 0.0 110.834 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.18 -42.11 94.31 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -178.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.565 HD23 HD11 ' A' ' 83' ' ' ILE . 25.7 mt -62.42 -42.08 99.18 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.321 -0.552 . . . . 0.0 109.792 179.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.18 -38.95 93.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.896 -179.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.531 ' ND2' ' OD1' ' A' ' 75' ' ' ASN . 0.5 OUTLIER -59.72 -45.08 93.27 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.349 -0.54 . . . . 0.0 110.388 -178.482 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 27.6 mt -54.96 -46.91 76.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.319 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -64.51 -41.17 96.58 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 119.899 -0.72 . . . . 0.0 109.704 178.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -57.24 -39.87 76.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.243 -179.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.531 ' OD1' ' ND2' ' A' ' 71' ' ' ASN . 35.1 m120 -92.38 3.16 55.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.477 -179.499 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 49.23 43.83 33.91 Favored Glycine 0 CA--C 1.526 0.755 0 C-N-CA 121.003 -0.618 . . . . 0.0 112.209 177.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 4.5 m -107.5 13.2 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.933 0.367 . . . . 0.0 111.247 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -54.05 125.96 20.84 Favored 'General case' 0 CA--C 1.522 -0.102 0 C-N-CA 120.424 -0.511 . . . . 0.0 110.439 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 112.17 -10.44 26.82 Favored Glycine 0 CA--C 1.517 0.162 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 -179.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.651 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 88.0 mtt180 -126.45 -25.79 3.4 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 108.984 -0.746 . . . . 0.0 108.984 178.667 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -126.87 135.71 51.34 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.752 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 96.4 p -150.86 168.46 24.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.149 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.565 HD11 HD23 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -130.08 139.25 51.94 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.139 0 CA-C-O 120.901 0.381 . . . . 0.0 110.929 179.689 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 82.5 t -123.81 128.16 74.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.253 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -100.19 154.66 18.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.362 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 134.52 -164.4 24.62 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.713 -0.955 . . . . 0.0 110.713 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -98.67 128.69 45.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.858 0.361 . . . . 0.0 110.572 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -48.14 -30.97 5.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.094 -179.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -64.08 -46.52 83.95 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.122 0.487 . . . . 0.0 110.334 178.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -61.72 -41.82 98.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.388 -0.823 . . . . 0.0 111.852 -178.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.523 HG22 ' N ' ' A' ' 92' ' ' ASP . 14.1 p -87.49 160.35 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 120.524 -0.471 . . . . 0.0 110.592 -179.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.523 ' N ' HG22 ' A' ' 91' ' ' VAL . 54.0 p-10 -119.72 139.69 51.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.963 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 46.3 pt -118.77 16.13 6.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.978 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 88.7 p -59.8 -28.57 67.55 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.551 -0.46 . . . . 0.0 110.837 -179.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.539 ' OE2' ' CZ ' ' A' ' 33' ' ' TYR . 2.6 pp20? -71.97 -19.5 61.88 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.055 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.563 ' HA ' HD11 ' A' ' 31' ' ' ILE . . . -69.98 136.47 50.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 112.084 -179.032 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.528 HG23 HG23 ' A' ' 98' ' ' VAL . 12.4 t -98.77 -25.79 14.54 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.139 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.532 HG13 ' HB1' ' A' ' 24' ' ' ALA . 55.6 t -129.37 129.5 67.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.536 179.371 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.451 HG12 ' N ' ' A' ' 100' ' ' THR . 98.5 t -141.55 154.07 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.112 0.482 . . . . 0.0 111.952 -179.34 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.451 ' N ' HG12 ' A' ' 99' ' ' VAL . 8.5 t -132.2 152.28 51.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.745 179.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 66.4 ttp -121.59 131.9 54.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.075 -179.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -109.07 151.27 26.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.648 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.8 pp -41.86 131.64 3.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.8 mp -112.64 152.63 28.73 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.151 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 69.3 p -65.43 -30.33 71.11 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.512 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 57.2 p30 -156.19 166.3 33.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.597 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.98 HG22 ' H ' ' A' ' 109' ' ' GLU . 12.2 p -158.96 138.89 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.655 179.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.487 ' C ' ' H ' ' A' ' 110' ' ' MET . 98.5 m-20 -100.06 7.04 44.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.158 179.502 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.98 ' H ' HG22 ' A' ' 107' ' ' VAL . 77.1 mm-40 58.05 2.06 0.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.922 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.487 ' H ' ' C ' ' A' ' 108' ' ' ASN . 22.7 mmt -86.9 -12.63 47.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.798 0.332 . . . . 0.0 110.659 179.505 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 94.0 mt -84.15 -19.76 33.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.706 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.415 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 5.4 mptp? -61.78 -56.25 34.21 Favored Pre-proline 0 CA--C 1.534 0.338 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.267 179.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.415 ' HD2' ' N ' ' A' ' 112' ' ' LYS . 43.5 Cg_endo -66.79 -20.89 51.79 Favored 'Trans proline' 0 N--CA 1.495 1.559 0 C-N-CA 121.853 1.702 . . . . 0.0 112.088 179.151 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 20.8 ttmm -61.75 -37.95 86.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.691 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 97.7 mt -60.61 -29.16 69.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.16 -179.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.516 ' OE2' ' NE2' ' A' ' 160' ' ' HIS . 91.7 mt-10 -63.2 -23.82 67.6 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 121.072 -0.251 . . . . 0.0 110.605 -179.446 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -98.28 -39.22 8.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.269 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -74.08 -53.36 10.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.295 -178.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 85.0 mt -83.78 137.04 33.92 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.254 -0.43 . . . . 0.0 109.919 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 10.3 ptpp? -76.09 156.76 83.87 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.997 -179.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -58.81 137.83 82.24 Favored 'Trans proline' 0 N--CA 1.495 1.561 0 C-N-CA 121.454 1.436 . . . . 0.0 111.703 178.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 96.33 1.35 60.86 Favored Glycine 0 CA--C 1.521 0.439 0 N-CA-C 111.397 -0.681 . . . . 0.0 111.397 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 1.3 m -76.79 149.39 36.26 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 5.4 mmt-85 -98.87 126.41 44.53 Favored 'General case' 0 C--O 1.231 0.131 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.481 -178.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 64.4 t -122.39 128.18 75.35 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.124 178.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 79.9 t -123.2 125.86 72.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -178.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 47.6 t -99.93 139.55 35.43 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 178.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -49.28 -97.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.668 -178.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -113.29 -20.08 11.52 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.666 0.269 . . . . 0.0 111.122 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -85.02 131.66 34.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.922 0.391 . . . . 0.0 110.808 -179.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -81.54 157.06 24.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.303 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.698 HD12 ' CE1' ' A' ' 155' ' ' TYR . 78.1 mt -92.17 120.43 41.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 62.5 ttm-85 -76.61 138.98 40.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.13 179.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 90.21 -21.45 31.35 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 179.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 10.9 m0 -103.17 146.76 27.92 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.997 0.427 . . . . 0.0 111.295 -179.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -101.08 113.42 65.81 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.508 179.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.02 148.63 57.33 Favored 'Trans proline' 0 N--CA 1.492 1.44 0 C-N-CA 121.333 1.356 . . . . 0.0 112.309 -178.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -85.71 -49.54 7.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.632 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -129.73 123.99 32.4 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.361 -179.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 63.2 t -127.21 123.35 61.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.091 179.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.4 HG21 HD13 ' A' ' 141' ' ' ILE . 23.5 pt -141.18 164.32 20.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.066 0.46 . . . . 0.0 111.259 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt -120.44 151.47 39.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.362 -0.836 . . . . 0.0 111.993 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 58.6 t -124.89 129.57 73.46 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.186 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . 0.411 ' N ' ' OE1' ' A' ' 144' ' ' GLU . 42.3 mp0 -112.65 118.89 36.29 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -138.19 98.8 3.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.759 0.314 . . . . 0.0 110.626 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 96.85 -120.13 6.59 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -115.4 17.04 16.64 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.738 0.304 . . . . 0.0 110.474 179.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 64.1 mtt -140.97 158.48 43.88 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.475 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 27.0 p30 -127.0 164.4 21.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.173 0.511 . . . . 0.0 110.826 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -137.38 148.15 46.01 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.937 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 36.2 m -122.04 139.98 53.05 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 66.3 t -126.85 132.19 70.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.652 -179.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -109.74 129.25 55.64 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.367 179.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 42.0 tp -114.22 123.58 49.92 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.807 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . 0.698 ' CE1' HD12 ' A' ' 132' ' ' ILE . 89.7 m-85 -116.17 166.53 11.92 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 65.6 t -133.06 126.24 53.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.494 178.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' ILE . . . . . . . . . . . . . 42.6 mm -67.52 131.92 32.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.528 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 120.49 -39.36 2.45 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . 0.451 ' C ' ' ND1' ' A' ' 160' ' ' HIS . 88.5 tt0 -139.62 130.75 26.5 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 179.676 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . 0.643 ' CD2' ' H ' ' A' ' 161' ' ' LYS . 3.8 p-80 -171.4 -75.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.217 -179.585 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . 0.643 ' H ' ' CD2' ' A' ' 160' ' ' HIS . 98.2 mttt -10.08 -84.75 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.356 0 O-C-N 124.32 1.013 . . . . 0.0 112.548 -178.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.586 -179.997 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.3 mtm . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.2 t -133.3 121.38 22.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.693 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -118.78 -27.04 5.92 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.435 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.634 ' O ' HG23 ' A' ' 4' ' ' VAL . 33.2 m -130.82 66.13 78.13 Favored Pre-proline 0 C--N 1.332 -0.181 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.431 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -68.18 -24.18 38.51 Favored 'Trans proline' 0 N--CA 1.494 1.505 0 C-N-CA 122.25 1.967 . . . . 0.0 112.423 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -68.48 123.44 20.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.628 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 28.6 m -135.56 150.38 71.96 Favored Pre-proline 0 CA--C 1.535 0.373 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.129 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -69.71 153.57 69.0 Favored 'Trans proline' 0 N--CA 1.497 1.692 0 C-N-CA 122.112 1.875 . . . . 0.0 111.652 179.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -73.2 117.27 14.74 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.985 -179.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.725 ' O ' HG23 ' A' ' 10' ' ' VAL . 31.4 m -109.16 108.31 60.31 Favored Pre-proline 0 CA--C 1.538 0.517 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.977 -179.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_exo -53.41 144.22 51.29 Favored 'Trans proline' 0 N--CA 1.497 1.69 0 C-N-CA 121.763 1.642 . . . . 0.0 111.757 179.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 68.5 p -68.78 157.35 88.95 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.431 -179.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -58.35 150.21 68.84 Favored 'Trans proline' 0 N--CA 1.498 1.739 0 C-N-CA 121.79 1.66 . . . . 0.0 111.945 179.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -60.68 -19.34 58.23 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -54.59 -28.4 46.0 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.102 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.66 -45.44 97.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.818 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -68.97 -30.09 45.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.512 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.519 ' NH2' ' OD2' ' A' ' 49' ' ' ASP . 8.0 mmm180 -61.18 -42.66 98.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.747 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 -68.36 -38.29 81.28 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.661 -0.415 . . . . 0.0 111.313 179.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 64.6 mtt -62.66 -36.99 84.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.257 0.551 . . . . 0.0 110.593 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 86.7 mt -70.95 -40.6 71.91 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.653 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -65.74 -45.23 83.38 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -178.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 39.0 pt -66.97 -35.98 76.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.898 -178.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.54 -9.71 37.69 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.232 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.1 tptt 70.55 45.2 0.62 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.281 0.562 . . . . 0.0 110.462 179.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 86.8 t -80.59 112.51 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.504 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.456 ' H ' ' HB2' ' A' ' 30' ' ' ASP . 74.3 m -114.42 165.75 12.4 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.798 179.63 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -58.04 -21.23 44.41 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.412 -178.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 59.1 p30 -98.83 7.24 46.26 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.606 -0.437 . . . . 0.0 111.157 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.456 ' HB2' ' H ' ' A' ' 27' ' ' SER . 97.1 m-20 -112.05 138.38 48.79 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.4 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.6 HD11 ' HA ' ' A' ' 96' ' ' ALA . 1.3 pp -91.02 153.2 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.904 0.383 . . . . 0.0 110.646 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 95.1 t -120.37 118.3 56.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.252 179.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.561 ' CD1' HD13 ' A' ' 31' ' ' ILE . 2.4 m-30 -117.06 100.27 7.63 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.54 179.394 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.559 ' HB1' HD13 ' A' ' 42' ' ' ILE . . . -98.58 125.44 43.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.149 0.5 . . . . 0.0 110.097 179.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.458 ' O ' ' O ' ' A' ' 58' ' ' VAL . 91.6 mt -63.63 -35.37 80.29 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -177.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -137.22 91.18 0.21 Allowed Glycine 0 CA--C 1.53 0.993 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.508 -178.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.498 ' SG ' ' N ' ' A' ' 38' ' ' GLY . 18.2 p -73.01 -58.09 3.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 117.113 0.456 . . . . 0.0 110.973 179.14 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.498 ' N ' ' SG ' ' A' ' 37' ' ' CYS . . . 79.4 4.36 89.06 Favored Glycine 0 CA--C 1.528 0.903 0 C-N-CA 120.972 -0.633 . . . . 0.0 111.937 179.138 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.8 p30 175.44 -13.59 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.757 0.313 . . . . 0.0 111.336 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.456 ' H ' ' HB2' ' A' ' 37' ' ' CYS . . . 87.05 -4.14 86.51 Favored Glycine 0 C--O 1.217 -0.952 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -58.83 -37.53 76.63 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.322 0.582 . . . . 0.0 110.092 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.621 HG23 HG23 ' A' ' 43' ' ' ILE . 18.1 tt -59.87 -42.37 88.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.532 -179.15 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.621 HG23 HG23 ' A' ' 42' ' ' ILE . 35.8 pt -90.82 -31.61 5.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -179.042 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 68.0 mt -62.06 -41.74 92.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 111.692 0.256 . . . . 0.0 111.692 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 92.3 m -65.39 -25.13 67.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.378 0.609 . . . . 0.0 109.628 179.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.612 ' HB1' HG11 ' A' ' 52' ' ' VAL . . . -71.92 -67.84 0.5 Allowed 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.938 179.241 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.17 -37.99 78.68 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.615 -178.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.89 -46.61 87.01 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.701 -0.4 . . . . 0.0 111.38 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.519 ' OD2' ' NH2' ' A' ' 18' ' ' ARG . 66.5 t0 -107.75 -50.65 3.03 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 -178.279 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.55 ' N ' ' O ' ' A' ' 46' ' ' ALA . 47.5 m-85 -72.87 -7.68 52.01 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.791 -178.507 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 58.9 t30 50.27 34.2 8.48 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 178.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.681 HG21 ' HB2' ' A' ' 55' ' ' ALA . 15.6 m -45.06 164.09 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 CA-C-O 121.219 0.533 . . . . 0.0 111.044 -179.082 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -74.21 -51.03 16.66 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.188 178.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -146.04 129.79 17.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.189 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.681 ' HB2' HG21 ' A' ' 52' ' ' VAL . . . -121.76 127.51 50.74 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.024 0.44 . . . . 0.0 110.469 -179.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.3 t -136.01 137.55 48.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.086 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -119.58 134.9 10.88 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 109.929 -1.268 . . . . 0.0 109.929 178.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.458 ' O ' ' O ' ' A' ' 35' ' ' LEU . 58.8 t -98.97 124.29 52.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 C-N-CA 120.553 -0.459 . . . . 0.0 109.971 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -167.18 142.79 4.15 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.341 -0.543 . . . . 0.0 110.941 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.684 ' O ' HG23 ' A' ' 60' ' ' ILE . 17.8 tt -134.27 112.37 15.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 178.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.432 ' H ' HG12 ' A' ' 65' ' ' ILE . 12.4 t-20 -151.26 -171.37 3.92 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 -179.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -115.39 -67.75 0.97 Allowed 'General case' 0 C--N 1.328 -0.346 0 O-C-N 123.282 0.364 . . . . 0.0 110.979 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -71.07 -39.15 72.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.784 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 85.7 mtp180 -84.83 -6.84 59.35 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.236 -179.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.432 HG12 ' H ' ' A' ' 61' ' ' ASN . 0.4 OUTLIER -70.2 -37.86 72.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.295 -179.527 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -81.0 -27.34 35.9 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.915 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -62.0 -46.82 87.55 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.01 -179.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.43 -40.56 94.9 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 -179.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.566 HD23 HD11 ' A' ' 83' ' ' ILE . 23.3 mt -61.93 -41.28 97.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.129 0.49 . . . . 0.0 110.002 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.39 -39.15 93.72 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.107 -179.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -60.31 -42.69 96.09 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.476 -0.49 . . . . 0.0 111.344 -178.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.463 HG23 HG23 ' A' ' 77' ' ' VAL . 76.1 mt -57.52 -46.17 86.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 C-N-CA 120.461 -0.496 . . . . 0.0 111.198 -178.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.99 -40.92 99.21 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.043 -0.663 . . . . 0.0 109.622 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -56.89 -39.78 75.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.314 -179.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -92.11 2.86 56.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.268 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 49.39 42.56 33.99 Favored Glycine 0 CA--C 1.524 0.641 0 C-N-CA 120.978 -0.63 . . . . 0.0 111.915 178.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.463 HG23 HG23 ' A' ' 72' ' ' ILE . 5.3 m -110.56 16.68 7.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.832 0.316 . . . . 0.0 111.414 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.2 p -46.59 163.07 0.04 OUTLIER 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 120.326 -0.55 . . . . 0.0 110.755 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 78.39 -35.19 1.77 Allowed Glycine 0 CA--C 1.522 0.516 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.188 178.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.546 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 65.1 mtt180 -99.09 -24.25 14.96 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 120.478 -0.489 . . . . 0.0 109.996 -179.638 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -121.56 132.19 54.55 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.389 -179.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 89.7 p -147.91 165.79 29.6 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.293 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.566 HD11 HD23 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -129.91 140.1 49.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.074 179.634 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 90.1 t -125.07 128.26 72.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.843 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 11.9 ptpt -96.23 150.98 19.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.183 179.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.432 ' H ' ' HB ' ' A' ' 60' ' ' ILE . . . 133.28 -165.13 24.15 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.482 -1.047 . . . . 0.0 110.482 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -99.42 126.5 45.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.038 0.446 . . . . 0.0 110.683 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.587 ' CE2' HG22 ' A' ' 107' ' ' VAL . 55.4 p90 -49.43 -30.73 8.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.547 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 93.5 t80 -61.98 -47.72 83.55 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.214 0.531 . . . . 0.0 110.039 178.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.16 -40.19 96.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.812 -179.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -82.82 153.43 3.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.661 -179.4 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -105.08 131.84 52.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.591 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 43.5 pt -123.47 13.48 5.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.986 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.462 ' CB ' ' O ' ' A' ' 118' ' ' GLU . 96.5 p -58.99 -27.92 65.86 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.629 -0.429 . . . . 0.0 110.501 -179.242 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -70.18 -16.46 63.08 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.186 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.6 ' HA ' HD11 ' A' ' 31' ' ' ILE . . . -66.42 128.84 37.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.909 -178.514 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.81 HG23 HG23 ' A' ' 98' ' ' VAL . 7.4 t -94.14 -30.7 14.5 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 178.455 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.81 HG23 HG23 ' A' ' 97' ' ' THR . 76.5 t -129.26 129.38 67.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.101 179.257 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 97.4 t -138.58 150.38 24.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.205 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.45 ' HG1' ' HZ ' ' A' ' 102' ' ' PHE . 68.0 p -121.03 157.74 29.34 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.504 179.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 60.4 ttm -139.15 140.98 38.04 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 120.964 0.412 . . . . 0.0 111.006 -179.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.45 ' HZ ' ' HG1' ' A' ' 100' ' ' THR . 0.0 OUTLIER -142.16 166.79 23.73 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.652 -179.692 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 83.9 mt -56.45 118.74 5.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.828 0.347 . . . . 0.0 110.239 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 94.8 mt -137.21 144.93 43.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.73 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 82.6 p -103.37 -11.09 18.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.958 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -61.77 -40.18 94.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.693 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.587 HG22 ' CE2' ' A' ' 88' ' ' PHE . 66.3 t -104.9 119.85 54.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.648 -179.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -110.41 -31.38 7.3 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.556 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.491 ' O ' ' CG ' ' A' ' 110' ' ' MET . 99.2 mt-10 -141.73 158.44 43.8 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 -179.689 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.491 ' CG ' ' O ' ' A' ' 109' ' ' GLU . 0.6 OUTLIER 154.12 -1.91 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.552 0 O-C-N 124.289 0.993 . . . . 0.0 111.433 179.407 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 37.6 mt 61.83 119.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.692 0.282 . . . . 0.0 110.889 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.49 ' N ' ' CD ' ' A' ' 113' ' ' PRO . 50.4 mttt -60.57 -43.25 91.97 Favored Pre-proline 0 CA--C 1.533 0.305 0 N-CA-C 112.146 0.425 . . . . 0.0 112.146 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.49 ' CD ' ' N ' ' A' ' 112' ' ' LYS . 73.1 Cg_exo -48.99 -10.73 0.13 Allowed 'Trans proline' 0 N--CA 1.495 1.582 0 C-N-CA 122.209 1.939 . . . . 0.0 112.265 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 112' ' ' LYS . 16.9 ttmm -60.69 -37.04 80.32 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.48 179.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 96.1 mt -59.75 -35.19 74.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.543 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.532 ' OE2' ' CG ' ' A' ' 160' ' ' HIS . 97.6 mt-10 -60.59 -23.97 65.1 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.248 -179.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -97.84 -41.07 8.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.148 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.462 ' O ' ' CB ' ' A' ' 94' ' ' SER . 79.6 mm-40 -72.07 -50.68 26.3 Favored 'General case' 0 C--N 1.333 -0.12 0 C-N-CA 120.611 -0.435 . . . . 0.0 111.098 -179.368 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.747 HD23 HG21 ' A' ' 123' ' ' THR . 5.9 mp -83.82 133.19 34.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.885 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -73.96 150.5 88.16 Favored Pre-proline 0 C--N 1.326 -0.422 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.558 -179.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -52.65 137.97 58.75 Favored 'Trans proline' 0 N--CA 1.495 1.597 0 C-N-CA 121.394 1.396 . . . . 0.0 111.911 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 101.13 -2.51 54.9 Favored Glycine 0 CA--C 1.521 0.42 0 N-CA-C 111.329 -0.709 . . . . 0.0 111.329 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . 0.747 HG21 HD23 ' A' ' 119' ' ' LEU . 4.4 m -73.35 146.95 44.82 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 178.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.413 ' NH2' HG22 ' A' ' 156' ' ' VAL . 14.8 mmm180 -99.39 127.37 45.42 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 -179.1 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 62.7 t -123.93 128.53 74.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.799 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 84.4 t -117.33 120.21 64.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.215 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 48.5 t -99.15 148.77 23.74 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.84 0.352 . . . . 0.0 110.638 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . 0.523 ' CD2' ' N ' ' A' ' 128' ' ' HIS . 0.1 OUTLIER -53.95 -104.73 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.398 -179.221 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -112.99 -16.98 12.56 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.706 -179.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.495 ' H ' ' CD2' ' A' ' 128' ' ' HIS . 75.9 m-85 -84.38 124.78 31.67 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.145 0.498 . . . . 0.0 111.266 -179.192 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -74.27 140.6 45.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.045 179.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 74.0 mt -76.55 116.13 19.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 C-N-CA 120.495 -0.482 . . . . 0.0 109.753 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -77.46 139.2 39.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.32 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 92.92 -24.72 23.09 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 179.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.576 ' CZ3' ' CE2' ' A' ' 155' ' ' TYR . 28.2 m0 -97.31 -176.93 3.66 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.774 0.321 . . . . 0.0 110.349 -179.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.498 ' ND2' ' O ' ' A' ' 162' ' ' ALA . 47.0 t30 -132.51 110.09 13.57 Favored Pre-proline 0 CA--C 1.535 0.4 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.838 178.74 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 146.63 60.68 Favored 'Trans proline' 0 N--CA 1.494 1.511 0 C-N-CA 121.177 1.252 . . . . 0.0 112.165 -179.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -84.34 -49.44 8.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.157 179.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -141.28 128.88 21.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.542 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.723 HG21 ' CE2' ' A' ' 153' ' ' TYR . 14.1 p -139.68 131.79 34.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 21.7 pt -140.41 170.21 14.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.02 -179.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 35.7 mtpt -118.95 154.09 33.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.42 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 58.3 t -128.76 129.67 68.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.21 -0.905 . . . . 0.0 108.906 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -117.44 126.03 51.94 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 123.166 0.291 . . . . 0.0 110.441 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -133.88 104.55 6.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.125 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 83.88 -102.48 2.48 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.562 -1.015 . . . . 0.0 110.562 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -129.76 17.71 5.73 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.834 0.35 . . . . 0.0 110.118 179.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 79.6 mtm -117.44 175.6 5.55 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.953 -179.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 40.3 p30 -154.58 149.56 26.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.022 178.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -136.95 144.98 43.69 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.067 -0.97 . . . . 0.0 109.918 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.417 ' O ' ' O ' ' A' ' 128' ' ' HIS . 28.3 m -124.75 141.87 51.81 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.676 ' O ' HG23 ' A' ' 140' ' ' VAL . 9.2 p -135.55 139.16 47.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.001 0.429 . . . . 0.0 110.911 -179.468 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . 0.723 ' CE2' HG21 ' A' ' 140' ' ' VAL . 81.0 m-85 -112.49 133.21 54.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.783 179.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 62.5 tp -109.05 128.4 54.94 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 178.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . 0.576 ' CE2' ' CZ3' ' A' ' 135' ' ' TRP . 75.3 t80 -136.37 130.14 32.36 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.997 0.427 . . . . 0.0 111.209 -178.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . 0.413 HG22 ' NH2' ' A' ' 124' ' ' ARG . 66.4 t -98.53 131.02 46.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.689 -179.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' ILE . . . . . . . . . . . . . 48.3 mm -70.35 131.27 34.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.529 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 139.92 -31.08 2.32 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . 0.448 ' O ' ' OH ' ' A' ' 155' ' ' TYR . 47.0 mp0 -135.89 105.41 6.09 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 179.463 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . 0.56 ' ND1' ' O ' ' A' ' 160' ' ' HIS . 26.1 p80 -118.24 99.42 6.85 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.046 -179.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 17.6 mtpt 166.23 -71.44 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.593 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . 0.498 ' O ' ' ND2' ' A' ' 136' ' ' ASN . . . . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 117.929 -1.034 . . . . 0.0 110.456 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.7 mtt . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.3 p -153.93 161.21 42.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.432 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.407 ' CE2' ' O ' ' A' ' 5' ' ' PRO . 41.9 t80 -133.93 89.26 2.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.166 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.605 ' N ' ' CD ' ' A' ' 5' ' ' PRO . 2.0 t -68.2 -37.79 11.89 Favored Pre-proline 0 CA--C 1.532 0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.444 -179.574 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 4' ' ' VAL . 34.7 Cg_exo -60.08 150.02 81.31 Favored 'Trans proline' 0 N--CA 1.498 1.748 0 C-N-CA 122.435 2.09 . . . . 0.0 112.206 -179.295 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -79.49 151.33 30.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.032 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.662 ' O ' HG22 ' A' ' 7' ' ' VAL . 7.7 p -130.15 64.1 71.32 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.084 -179.486 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -73.36 153.3 50.43 Favored 'Trans proline' 0 C--N 1.306 -1.674 0 C-N-CA 122.689 2.259 . . . . 0.0 111.947 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -62.03 131.36 49.35 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 58.4 t -115.41 107.88 48.48 Favored Pre-proline 0 CA--C 1.538 0.495 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.167 -179.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -74.45 150.86 41.67 Favored 'Trans proline' 0 N--CA 1.493 1.445 0 C-N-CA 121.464 1.443 . . . . 0.0 111.519 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 71.4 p -71.4 157.28 90.33 Favored Pre-proline 0 C--N 1.327 -0.398 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.324 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -55.13 147.63 53.15 Favored 'Trans proline' 0 N--CA 1.498 1.766 0 C-N-CA 121.714 1.609 . . . . 0.0 112.227 179.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -57.21 -32.32 66.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.396 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.5 tptt -53.01 -34.01 54.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.181 -179.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.3 t -61.59 -45.76 97.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.14 179.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 54.2 t -62.41 -39.79 85.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 121.007 0.432 . . . . 0.0 109.954 179.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.542 ' NH2' ' OD2' ' A' ' 49' ' ' ASP . 13.6 mmt180 -59.48 -42.04 91.16 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.318 -179.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.1 mmt-85 -68.43 -37.95 80.75 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.547 -0.461 . . . . 0.0 111.358 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 62.8 mtt -62.68 -36.77 83.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.208 0.527 . . . . 0.0 110.691 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 92.7 mt -70.28 -40.39 74.34 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.432 -0.803 . . . . 0.0 111.596 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -64.82 -45.88 84.31 Favored 'General case' 0 CA--C 1.519 -0.239 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -178.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.404 HG13 ' N ' ' A' ' 24' ' ' ALA . 39.5 pt -67.5 -36.58 76.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.318 -178.591 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.404 ' N ' HG13 ' A' ' 23' ' ' ILE . . . -66.84 -13.49 61.65 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.137 0.494 . . . . 0.0 110.105 -179.538 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 68.56 46.49 0.99 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.573 0.701 . . . . 0.0 110.533 179.724 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.422 HG22 HG11 ' A' ' 98' ' ' VAL . 84.5 t -76.2 112.52 14.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.315 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.424 ' H ' ' HB2' ' A' ' 30' ' ' ASP . 90.7 p -111.52 165.49 11.95 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.476 179.486 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.2 pt20 -58.35 -17.8 22.73 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.85 -179.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -97.34 -2.23 42.88 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 120.651 -0.42 . . . . 0.0 111.429 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.424 ' HB2' ' H ' ' A' ' 27' ' ' SER . 97.4 m-20 -106.04 140.68 38.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.858 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.586 HD11 ' HA ' ' A' ' 96' ' ' ALA . 1.3 pp -91.65 155.65 3.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.336 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.433 ' N ' HD12 ' A' ' 31' ' ' ILE . 99.2 t -121.14 119.79 60.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.001 179.73 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.472 ' CD1' HD13 ' A' ' 31' ' ' ILE . 1.9 m-30 -117.32 112.04 20.2 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.449 -0.796 . . . . 0.0 108.946 178.402 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.558 ' HB1' HD13 ' A' ' 42' ' ' ILE . . . -128.41 143.6 51.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.711 -179.447 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.461 HD12 ' H ' ' A' ' 35' ' ' LEU . 0.7 OUTLIER -110.67 4.83 20.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.985 -179.801 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.437 ' O ' ' O ' ' A' ' 37' ' ' CYS . . . -99.47 9.48 60.79 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.387 -0.685 . . . . 0.0 111.387 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.437 ' O ' ' O ' ' A' ' 36' ' ' GLY . 0.6 OUTLIER -46.13 -97.39 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.608 -179.581 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.55 12.37 80.35 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.167 -1.173 . . . . 0.0 110.167 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.542 ' OD1' ' ND2' ' A' ' 71' ' ' ASN . 31.9 t70 -175.79 -25.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.98 0.419 . . . . 0.0 110.056 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.09 -5.2 83.18 Favored Glycine 0 C--O 1.217 -0.933 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 179.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -58.17 -38.19 76.19 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 120.489 -0.485 . . . . 0.0 110.355 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.622 HG23 HG23 ' A' ' 43' ' ' ILE . 18.5 tt -60.26 -44.54 95.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.399 -179.147 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.622 HG23 HG23 ' A' ' 42' ' ' ILE . 39.4 pt -87.82 -31.41 5.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -179.116 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 67.9 mt -61.64 -41.15 89.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 99.8 m -64.47 -28.73 69.86 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.305 0.574 . . . . 0.0 109.716 179.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.728 ' HB1' HG11 ' A' ' 52' ' ' VAL . . . -68.93 -68.93 0.36 Allowed 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.029 179.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.414 ' HA ' HG22 ' A' ' 52' ' ' VAL . . . -58.54 -37.68 76.19 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.526 -178.416 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp -62.06 -46.61 88.37 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.646 -0.422 . . . . 0.0 111.472 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.542 ' OD2' ' NH2' ' A' ' 18' ' ' ARG . 49.4 t0 -109.47 -50.3 3.01 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 -178.593 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.551 ' N ' ' O ' ' A' ' 46' ' ' ALA . 43.4 m-85 -69.25 -10.13 56.33 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 120.419 -0.512 . . . . 0.0 111.474 -178.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 57.5 t30 52.47 33.43 13.2 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.293 179.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.728 HG11 ' HB1' ' A' ' 46' ' ' ALA . 10.8 m -44.73 163.26 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 CA-C-O 121.184 0.516 . . . . 0.0 110.947 -178.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.8 ttmt -74.27 -49.51 22.83 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.399 -0.819 . . . . 0.0 108.818 177.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.69 130.99 16.53 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.74 179.612 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.676 ' HB2' HG21 ' A' ' 52' ' ' VAL . . . -123.16 126.42 46.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.967 0.413 . . . . 0.0 109.955 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.6 t -132.43 135.17 58.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.394 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -108.8 129.93 9.78 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 109.792 -1.323 . . . . 0.0 109.792 178.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 84.8 t -104.14 121.74 56.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.06 0.457 . . . . 0.0 109.963 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -174.56 150.74 1.41 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.82 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.618 ' O ' HG23 ' A' ' 60' ' ' ILE . 20.4 tt -133.8 118.99 31.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 178.482 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -150.72 -174.41 4.77 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.562 ' O ' HG22 ' A' ' 65' ' ' ILE . 66.5 t0 -113.41 -68.35 0.93 Allowed 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.085 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -70.6 -38.92 74.05 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.851 0.357 . . . . 0.0 111.674 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -81.72 -7.34 59.59 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.755 -178.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.562 HG22 ' O ' ' A' ' 62' ' ' ASP . 13.1 tt -66.29 -36.88 78.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 120.064 -0.655 . . . . 0.0 111.0 -178.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.419 ' N ' ' CG2' ' A' ' 65' ' ' ILE . 8.1 ptm180 -82.92 -28.96 29.55 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.412 -179.173 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.08 -48.06 83.44 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.358 -0.537 . . . . 0.0 110.992 -179.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.26 -41.41 96.87 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 111.887 0.328 . . . . 0.0 111.887 -178.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.518 HD23 HD11 ' A' ' 83' ' ' ILE . 23.5 mt -60.64 -40.66 92.79 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.364 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.64 -38.66 91.14 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.662 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.542 ' ND2' ' OD1' ' A' ' 39' ' ' ASP . 89.0 m-20 -60.41 -44.07 96.1 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.455 -0.498 . . . . 0.0 111.269 -178.639 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.9 mp -54.79 -47.08 74.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.83 -178.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -64.42 -39.9 94.72 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.293 -0.563 . . . . 0.0 110.17 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -57.26 -40.99 78.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.515 -179.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -90.95 1.57 56.93 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.072 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 50.92 42.77 47.86 Favored Glycine 0 CA--C 1.527 0.794 0 C-N-CA 121.084 -0.579 . . . . 0.0 112.178 177.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.5 m -108.04 16.73 7.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 117.009 0.404 . . . . 0.0 111.267 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.0 p -48.04 159.97 0.16 Allowed 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 121.404 0.621 . . . . 0.0 111.324 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 80.51 -31.37 2.42 Favored Glycine 0 N--CA 1.446 -0.7 0 CA-C-N 114.841 -1.072 . . . . 0.0 111.001 179.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 40.5 mtt85 -103.88 -24.47 13.28 Favored 'General case' 0 CA--C 1.521 -0.163 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.306 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -123.24 135.45 54.27 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.569 -179.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 96.0 p -152.12 168.93 23.71 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.369 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.518 HD11 HD23 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -129.93 139.89 50.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.074 179.418 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 86.7 t -124.3 127.58 73.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.4 ptmm? -96.99 155.4 16.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.155 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 141.91 -162.71 27.07 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -105.6 139.43 40.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.171 0.51 . . . . 0.0 111.111 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -56.96 -45.89 82.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.873 -179.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 92.9 t80 -59.7 -47.59 85.02 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.211 0.529 . . . . 0.0 109.995 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -63.12 -40.78 98.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.08 -179.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -83.13 152.94 3.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.988 0.423 . . . . 0.0 111.288 -178.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -116.42 135.27 53.99 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.837 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 41.3 pt -116.92 19.7 6.89 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.186 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.949 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 48.1 t -57.26 -36.71 71.33 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 121.057 -0.257 . . . . 0.0 111.182 -179.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.409 ' OE2' ' OH ' ' A' ' 33' ' ' TYR . 20.8 pt-20 -65.19 -18.78 65.59 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.752 0.31 . . . . 0.0 111.716 -179.529 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.586 ' HA ' HD11 ' A' ' 31' ' ' ILE . . . -67.23 132.85 48.59 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.904 -179.346 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.835 HG23 HG23 ' A' ' 98' ' ' VAL . 8.4 t -99.45 -24.89 14.64 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 178.193 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.835 HG23 HG23 ' A' ' 97' ' ' THR . 90.2 t -133.29 131.67 58.07 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.333 179.376 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 29.3 m -140.49 156.03 23.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.632 178.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.494 HG23 ' HB ' ' A' ' 126' ' ' VAL . 84.8 m -148.72 145.97 27.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.609 179.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 24.8 mmt -110.37 138.49 46.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.525 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.513 ' CE2' ' O ' ' A' ' 103' ' ' LEU . 87.9 t80 -137.5 136.71 37.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.212 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.513 ' O ' ' CE2' ' A' ' 102' ' ' PHE . 96.1 mt -62.88 139.53 58.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.979 0.419 . . . . 0.0 110.829 -179.394 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 59.8 tp -171.42 -59.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.961 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 73.3 p -80.5 167.63 19.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.583 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -63.79 145.76 55.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.473 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.429 ' O ' HG13 ' A' ' 107' ' ' VAL . 10.7 p -44.98 131.54 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.787 -179.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -160.51 168.53 24.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.117 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -66.82 134.95 53.15 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.376 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 59.4 mtt -150.31 -49.09 0.13 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.043 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 7.8 mp -65.67 103.99 0.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.589 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -137.0 150.05 68.37 Favored Pre-proline 0 CA--C 1.535 0.379 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.642 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.52 -7.71 21.78 Favored 'Trans proline' 0 N--CA 1.495 1.598 0 C-N-CA 122.542 2.161 . . . . 0.0 111.414 179.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -57.3 -25.52 59.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.88 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 88.8 mt -59.03 -28.63 66.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.968 0.413 . . . . 0.0 110.005 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.52 ' OE2' ' CE1' ' A' ' 160' ' ' HIS . 99.1 mt-10 -64.35 -23.47 67.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.076 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -101.61 -29.16 12.1 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.8 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -80.48 -55.7 4.69 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.689 -0.404 . . . . 0.0 111.057 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.537 HD22 ' N ' ' A' ' 119' ' ' LEU . 3.9 mm? -75.59 145.9 40.81 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 179.475 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -80.96 149.54 67.06 Favored Pre-proline 0 C--N 1.328 -0.358 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 178.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_exo -53.34 136.84 63.88 Favored 'Trans proline' 0 N--CA 1.496 1.635 0 C-N-CA 121.307 1.338 . . . . 0.0 112.111 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 95.63 5.31 60.18 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . 0.444 HG21 HD12 ' A' ' 119' ' ' LEU . 1.2 m -78.73 146.85 33.66 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 178.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -100.46 131.11 46.56 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.099 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 58.1 t -123.94 130.03 74.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.494 ' HB ' HG23 ' A' ' 100' ' ' THR . 59.5 t -119.5 124.32 72.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 CA-C-O 120.765 0.316 . . . . 0.0 111.303 -179.404 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 70.1 m -99.13 153.28 19.03 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.914 0.388 . . . . 0.0 110.593 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . 0.577 ' H ' ' CD2' ' A' ' 128' ' ' HIS . 0.1 OUTLIER -59.71 -102.41 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.12 -179.242 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -111.25 -18.06 13.03 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.784 0.326 . . . . 0.0 110.991 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.447 ' H ' ' CD2' ' A' ' 128' ' ' HIS . 96.9 m-85 -91.02 126.84 36.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.807 -179.453 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -77.97 160.71 28.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.352 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.496 HD12 ' CD1' ' A' ' 155' ' ' TYR . 81.9 mt -90.73 121.09 40.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.459 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -78.22 140.1 38.92 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 92.77 -22.74 32.1 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.189 -0.765 . . . . 0.0 111.189 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 14.2 m0 -96.87 -177.56 3.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.149 0.5 . . . . 0.0 111.102 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -133.71 110.0 12.18 Favored Pre-proline 0 CA--C 1.536 0.41 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.225 178.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -72.23 145.76 44.41 Favored 'Trans proline' 0 N--CA 1.491 1.375 0 C-N-CA 121.249 1.299 . . . . 0.0 112.374 -178.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 18.4 tptm -84.46 -49.01 9.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.413 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -131.77 128.31 38.55 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.711 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 69.5 t -129.1 123.38 58.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.269 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 25.8 pt -141.67 164.02 19.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 C-N-CA 120.471 -0.492 . . . . 0.0 111.295 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 10.1 mtmm -120.76 152.55 38.17 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.243 -0.889 . . . . 0.0 111.672 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 63.5 t -126.98 130.26 71.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 CA-C-N 115.124 -0.943 . . . . 0.0 109.388 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -114.17 119.11 35.95 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.161 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -138.52 100.05 3.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.739 0.304 . . . . 0.0 110.569 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 95.57 -118.53 5.94 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -118.02 17.13 14.16 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.736 0.303 . . . . 0.0 110.576 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 63.5 mtt -139.76 157.34 45.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.126 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 52.8 p30 -127.46 163.59 23.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.206 0.527 . . . . 0.0 110.775 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -137.53 148.05 45.66 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.195 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 63.1 m -123.3 140.32 53.14 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 75.3 t -129.18 132.2 67.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.729 0.299 . . . . 0.0 110.814 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -110.12 132.79 53.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.083 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 70.3 tp -111.27 133.22 53.76 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . 0.496 ' CD1' HD12 ' A' ' 132' ' ' ILE . 81.5 m-85 -128.54 165.89 19.87 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 58.4 t -130.33 124.42 57.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.403 178.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' ILE . . . . . . . . . . . . . 50.7 mm -68.78 134.1 30.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.707 -179.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 114.41 -41.04 2.28 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.053 -1.219 . . . . 0.0 110.053 -179.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 16.6 tm-20 -128.65 125.64 38.51 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 179.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . 0.52 ' CE1' ' OE2' ' A' ' 116' ' ' GLU . 0.3 OUTLIER -164.47 -84.9 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.222 -179.666 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -61.78 135.2 57.5 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.645 -179.665 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ttt . . . . . 0 N--CA 1.489 1.525 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.4 m -126.15 147.03 49.72 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.447 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -129.15 142.9 50.74 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.556 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.625 ' O ' HG23 ' A' ' 4' ' ' VAL . 33.2 m -130.87 67.34 80.6 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.398 179.747 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.836 ' O ' HG13 ' A' ' 7' ' ' VAL . 50.2 Cg_endo -74.6 -62.26 0.04 OUTLIER 'Trans proline' 0 C--N 1.308 -1.57 0 C-N-CA 122.441 2.094 . . . . 0.0 112.452 -179.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 73.9 t60 46.98 33.41 2.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.448 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.836 HG13 ' O ' ' A' ' 5' ' ' PRO . 34.7 m -129.7 77.64 76.64 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.646 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -54.28 141.92 69.7 Favored 'Trans proline' 0 N--CA 1.496 1.65 0 C-N-CA 122.716 2.277 . . . . 0.0 112.152 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -115.19 129.45 56.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.771 -179.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.668 ' O ' HG23 ' A' ' 10' ' ' VAL . 29.5 m -110.59 112.91 56.21 Favored Pre-proline 0 CA--C 1.537 0.477 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.087 179.585 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -73.13 -46.17 0.4 Allowed 'Trans proline' 0 N--CA 1.491 1.377 0 C-N-CA 121.3 1.333 . . . . 0.0 112.899 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.548 HG21 ' NE2' ' A' ' 150' ' ' HIS . 44.2 p -46.33 110.51 1.23 Allowed Pre-proline 0 CA--C 1.536 0.409 0 N-CA-C 111.777 0.288 . . . . 0.0 111.777 -178.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -55.32 174.74 0.22 Allowed 'Trans proline' 0 N--CA 1.493 1.46 0 C-N-CA 121.931 1.754 . . . . 0.0 111.757 178.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.2 pm0 -62.3 -13.12 25.3 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.9 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -46.09 -20.8 0.11 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.902 -179.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.5 t -60.64 -44.25 96.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.378 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.5 p -67.25 -31.47 53.2 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.493 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.4 mmt85 -61.73 -41.18 97.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.312 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.1 mmt180 -67.16 -38.68 85.88 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.594 -0.442 . . . . 0.0 111.349 179.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 62.6 mtt -62.21 -36.73 82.86 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.3 0.571 . . . . 0.0 110.614 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.776 ' O ' HG12 ' A' ' 26' ' ' VAL . 89.5 mt -70.37 -40.92 73.72 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.379 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -64.93 -44.88 88.03 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -179.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 33.5 pt -66.97 -35.31 74.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.845 -178.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.01 -11.76 61.08 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.28 0.562 . . . . 0.0 109.584 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.0 tptm 64.26 30.23 13.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.897 179.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.776 HG12 ' O ' ' A' ' 21' ' ' LEU . 4.0 p -62.5 120.77 9.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.371 0.605 . . . . 0.0 110.541 -179.584 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.46 ' H ' ' HB3' ' A' ' 30' ' ' ASP . 92.2 p -114.66 171.68 7.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.006 179.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.2 pt20 -60.09 -17.43 39.67 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.371 -179.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -98.31 2.37 48.02 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 120.856 -0.338 . . . . 0.0 111.549 -179.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.746 ' OD2' HG23 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -108.26 137.46 46.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.847 0.356 . . . . 0.0 111.617 -179.483 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.565 HD11 ' HA ' ' A' ' 96' ' ' ALA . 1.2 pp -90.27 154.83 3.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.025 179.378 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.476 ' N ' HD12 ' A' ' 31' ' ' ILE . 92.8 t -120.96 118.23 55.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.321 0.581 . . . . 0.0 112.423 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.432 ' CD1' HD13 ' A' ' 31' ' ' ILE . 2.1 m-30 -113.25 104.91 12.81 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.241 -0.89 . . . . 0.0 108.7 177.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.633 ' HB1' HD13 ' A' ' 42' ' ' ILE . . . -123.19 142.53 50.8 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.914 0.388 . . . . 0.0 111.02 -179.078 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.4 mp -108.45 4.05 23.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.437 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.46 ' O ' ' O ' ' A' ' 37' ' ' CYS . . . -94.85 11.63 69.48 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.391 -0.684 . . . . 0.0 111.391 -179.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.591 ' SG ' ' N ' ' A' ' 40' ' ' GLY . 19.9 t -42.55 -98.91 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.638 0.256 . . . . 0.0 111.171 -179.496 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.51 ' N ' ' SG ' ' A' ' 37' ' ' CYS . . . 75.03 8.13 82.64 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.483 ' OD2' ' NH1' ' A' ' 64' ' ' ARG . 1.2 m-20 174.28 -19.33 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.579 0.228 . . . . 0.0 110.701 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.591 ' N ' ' SG ' ' A' ' 37' ' ' CYS . . . 91.71 -3.27 78.0 Favored Glycine 0 C--O 1.219 -0.792 0 C-N-CA 121.041 -0.6 . . . . 0.0 111.613 179.467 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -60.8 -26.64 67.44 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.234 -0.586 . . . . 0.0 110.69 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.633 HD13 ' HB1' ' A' ' 34' ' ' ALA . 17.4 tt -70.6 -43.91 77.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.339 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.631 HG23 HG23 ' A' ' 42' ' ' ILE . 33.4 pt -89.49 -30.28 5.16 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -179.097 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 69.8 mt -62.01 -41.58 91.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 111.801 0.296 . . . . 0.0 111.801 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 95.0 m -65.35 -25.14 67.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.12 0.486 . . . . 0.0 110.16 179.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.723 ' HB1' HG11 ' A' ' 52' ' ' VAL . . . -73.09 -67.1 0.6 Allowed 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.894 179.099 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.414 ' HA ' HG22 ' A' ' 52' ' ' VAL . . . -59.53 -38.65 81.55 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.588 -178.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -63.07 -46.31 88.07 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.803 -0.359 . . . . 0.0 111.421 -179.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -105.82 -52.36 2.83 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 112.705 0.632 . . . . 0.0 112.705 -178.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.548 ' N ' ' O ' ' A' ' 46' ' ' ALA . 52.4 m-85 -72.45 -6.69 45.39 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -178.413 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 49.64 34.28 7.03 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.726 -0.39 . . . . 0.0 111.431 178.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.723 HG11 ' HB1' ' A' ' 46' ' ' ALA . 12.7 m -45.3 164.64 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.514 0 CA-C-O 121.332 0.587 . . . . 0.0 111.279 -178.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -72.07 -50.71 26.1 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.217 -0.901 . . . . 0.0 109.341 178.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.42 ' HZ2' ' CG2' ' A' ' 56' ' ' VAL . 13.3 ttpp -151.54 127.54 10.39 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.592 ' HB2' HG21 ' A' ' 52' ' ' VAL . . . -117.29 129.39 55.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.105 0.479 . . . . 0.0 110.211 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.42 ' CG2' ' HZ2' ' A' ' 54' ' ' LYS . 79.2 t -132.33 133.83 59.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.222 -179.462 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -108.97 137.41 14.16 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.045 -1.222 . . . . 0.0 110.045 178.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 92.7 t -115.51 129.05 72.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.852 0.358 . . . . 0.0 110.356 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 174.26 159.86 0.17 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.483 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.561 ' O ' HG23 ' A' ' 60' ' ' ILE . 20.6 tt -135.02 122.15 36.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.422 ' OD1' ' O ' ' A' ' 60' ' ' ILE . 82.9 m-20 -148.11 177.54 9.3 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 -179.721 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.551 ' O ' HG22 ' A' ' 65' ' ' ILE . 4.0 m-20 -109.12 -70.6 0.8 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.757 0.313 . . . . 0.0 110.945 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -70.43 -38.28 74.53 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.508 -179.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.507 ' NH1' ' O ' ' A' ' 38' ' ' GLY . 78.6 mtp85 -79.65 -7.74 58.76 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.665 -178.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.551 HG22 ' O ' ' A' ' 62' ' ' ASP . 12.6 tt -64.53 -37.94 81.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.257 -0.577 . . . . 0.0 111.138 -179.032 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.443 ' N ' ' CG2' ' A' ' 65' ' ' ILE . 8.1 ptm180 -81.82 -28.04 33.33 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.084 -179.308 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.07 -48.64 80.76 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 120.379 -0.528 . . . . 0.0 110.873 -179.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.95 -41.66 96.76 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 -178.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.453 HD23 HD11 ' A' ' 83' ' ' ILE . 30.2 mt -59.94 -42.41 93.97 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.304 -0.558 . . . . 0.0 109.918 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.02 -38.43 91.06 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.729 179.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -63.11 -24.8 68.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.091 -178.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.5 mp -73.48 -48.17 42.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 178.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.28 -38.64 91.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.225 179.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -56.27 -40.05 73.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.306 -179.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -94.1 4.0 54.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.206 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 49.83 43.95 39.45 Favored Glycine 0 CA--C 1.526 0.776 0 C-N-CA 121.142 -0.552 . . . . 0.0 112.249 178.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 5.6 m -109.02 16.16 7.73 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.389 0 CA-C-N 116.974 0.387 . . . . 0.0 111.635 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.5 p -48.93 160.74 0.17 Allowed 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 121.751 0.786 . . . . 0.0 111.257 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 76.98 -12.58 11.08 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 114.382 -1.281 . . . . 0.0 111.028 178.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.405 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 64.0 mtt180 -121.61 -24.87 5.22 Favored 'General case' 0 CA--C 1.522 -0.11 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 179.452 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -122.85 134.66 54.38 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.303 -179.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 91.1 p -149.14 166.97 27.21 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.273 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.453 HD11 HD23 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -130.0 140.15 49.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.157 179.649 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 86.4 t -125.32 128.92 73.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.81 -179.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 17.6 ptmt -103.73 158.39 16.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.463 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 132.89 -159.27 23.45 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.658 -0.977 . . . . 0.0 110.658 -179.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -95.97 126.9 41.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.924 0.393 . . . . 0.0 110.637 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.447 ' CZ ' ' SD ' ' A' ' 110' ' ' MET . 39.4 p90 -50.69 -30.01 12.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.71 -179.204 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -61.05 -48.61 80.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.248 0.547 . . . . 0.0 109.801 179.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -63.28 -39.5 94.76 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.369 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 90.1 t -71.11 129.78 34.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.66 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.443 ' OD1' ' O ' ' A' ' 92' ' ' ASP . 52.7 p-10 -102.61 137.85 40.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.518 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 47.4 pt -118.68 10.93 6.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.25 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 75.8 m -56.94 -35.49 69.14 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.823 -178.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.4 ' OE2' ' OH ' ' A' ' 33' ' ' TYR . 17.0 pt-20 -69.57 -18.19 63.61 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.744 -179.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.565 ' HA ' HD11 ' A' ' 31' ' ' ILE . . . -68.33 132.5 47.19 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -178.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.53 HG23 ' OD1' ' A' ' 30' ' ' ASP . 12.0 t -100.36 -23.29 14.8 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 178.619 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.435 HG23 HG23 ' A' ' 97' ' ' THR . 55.7 t -134.74 131.25 53.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.065 178.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 92.9 t -133.0 140.44 47.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.087 0.47 . . . . 0.0 111.072 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 72.4 p -135.78 154.0 51.36 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.63 179.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 63.3 tpp -134.08 126.47 30.16 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.36 179.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -152.03 87.83 1.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.427 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.531 ' O ' ' ND2' ' A' ' 106' ' ' ASN . 60.3 tp -150.8 135.89 17.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.968 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 91.5 mt -70.91 141.88 51.14 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.385 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 2.7 m 65.1 64.75 0.61 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.052 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.531 ' ND2' ' O ' ' A' ' 103' ' ' LEU . 98.5 m-20 -105.37 133.18 50.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.577 179.696 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.548 HG23 ' H ' ' A' ' 109' ' ' GLU . 34.0 m -71.08 -31.95 46.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.961 0.41 . . . . 0.0 110.231 179.627 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.569 ' ND2' ' CG ' ' A' ' 130' ' ' PHE . 79.1 m-20 56.37 36.65 27.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.044 179.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.548 ' H ' HG23 ' A' ' 107' ' ' VAL . 98.1 mt-10 -113.63 -25.35 8.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.453 179.293 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.447 ' SD ' ' CZ ' ' A' ' 88' ' ' PHE . 38.9 mmt -77.27 27.36 0.15 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.388 -178.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.406 HD12 ' C ' ' A' ' 110' ' ' MET . 7.2 mp -121.94 66.47 0.91 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.787 -0.819 . . . . 0.0 108.787 178.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.521 ' C ' ' H ' ' A' ' 114' ' ' LYS . 53.1 mtpt -71.19 153.36 94.35 Favored Pre-proline 0 CA--C 1.537 0.444 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.478 -178.543 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -46.98 -6.45 0.03 OUTLIER 'Trans proline' 0 N--CA 1.497 1.696 0 C-N-CA 122.488 2.125 . . . . 0.0 112.681 178.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.521 ' H ' ' C ' ' A' ' 112' ' ' LYS . 63.3 mttp -58.17 -16.09 12.21 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 121.051 -0.259 . . . . 0.0 110.452 -179.545 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 95.8 mt -60.01 -36.4 77.15 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -63.82 -21.37 66.4 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.722 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 70.9 mttt -99.17 -39.95 8.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.134 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -73.82 -53.1 11.0 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.843 -179.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.847 HD23 HG21 ' A' ' 123' ' ' THR . 8.2 mp -82.96 130.78 35.18 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -71.07 150.71 94.84 Favored Pre-proline 0 C--N 1.327 -0.375 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.548 -179.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -52.5 138.3 57.32 Favored 'Trans proline' 0 N--CA 1.496 1.658 0 C-N-CA 121.596 1.531 . . . . 0.0 112.075 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 99.05 -2.35 58.03 Favored Glycine 0 CA--C 1.52 0.386 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . 0.847 HG21 HD23 ' A' ' 119' ' ' LEU . 1.7 m -72.0 145.09 48.57 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 178.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -103.6 131.32 50.85 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.413 ' HB ' ' CE1' ' A' ' 155' ' ' TYR . 30.2 t -129.5 137.37 57.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.853 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 91.3 t -126.6 128.44 71.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -179.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 26.9 t -100.31 149.51 23.54 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.289 178.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . 0.465 ' CG ' ' N ' ' A' ' 129' ' ' GLU . 18.7 t-160 -56.77 -98.55 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.521 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.465 ' N ' ' CG ' ' A' ' 128' ' ' HIS . 24.5 pt-20 -113.37 -16.91 12.39 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.387 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.569 ' CG ' ' ND2' ' A' ' 108' ' ' ASN . 92.4 m-85 -89.06 131.94 35.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.966 0.412 . . . . 0.0 111.298 -179.012 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -85.78 161.03 19.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.518 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.64 HD11 ' CZ ' ' A' ' 155' ' ' TYR . 79.1 mt -95.11 119.47 43.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.58 -179.587 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -72.84 139.99 47.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.877 179.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 90.46 -23.18 23.42 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 14.6 m0 -104.2 152.11 22.55 Favored 'General case' 0 C--O 1.231 0.101 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.828 HD22 ' H ' ' A' ' 162' ' ' ALA . 66.1 m-20 -112.0 101.73 52.29 Favored Pre-proline 0 CA--C 1.536 0.419 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.695 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -56.37 150.44 50.35 Favored 'Trans proline' 0 N--CA 1.496 1.632 0 C-N-CA 122.151 1.9 . . . . 0.0 112.242 179.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -87.11 -48.7 7.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.516 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -124.73 127.08 46.7 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.58 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 63.6 t -130.04 124.07 57.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.382 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 28.6 pt -141.45 163.05 20.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 120.55 -0.46 . . . . 0.0 111.241 179.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 21.8 mtmt -122.95 149.76 43.85 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.788 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 61.9 t -124.03 129.04 74.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.03 -0.986 . . . . 0.0 109.499 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -113.69 127.23 55.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.973 0.416 . . . . 0.0 110.685 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.514 ' HB3' HG22 ' A' ' 12' ' ' THR . 67.5 t0 -145.34 100.61 3.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.761 -179.501 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 93.82 -113.8 4.6 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 32.4 p-10 -121.39 14.98 11.25 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.913 0.387 . . . . 0.0 110.879 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 75.1 mtm -140.78 157.39 45.48 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.175 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 50.6 p30 -130.21 168.56 16.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.28 0.562 . . . . 0.0 110.808 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . 0.548 ' NE2' HG21 ' A' ' 12' ' ' THR . 95.5 m-70 -139.14 150.05 45.18 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.333 -179.558 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.435 ' O ' ' O ' ' A' ' 128' ' ' HIS . 63.7 m -123.56 139.3 54.15 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 58.7 t -125.89 131.19 72.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.785 0.326 . . . . 0.0 110.174 -179.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -109.76 130.04 55.56 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.967 -179.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 46.7 tp -116.2 122.76 45.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.405 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . 0.64 ' CZ ' HD11 ' A' ' 132' ' ' ILE . 0.3 OUTLIER -134.41 132.56 39.53 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.111 0.481 . . . . 0.0 110.711 179.756 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 86.2 t -96.41 133.68 36.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.406 -179.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' ILE . . . . . . . . . . . . . 45.9 mm -69.35 145.56 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.513 179.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 125.84 -32.71 3.76 Favored Glycine 0 CA--C 1.518 0.274 0 N-CA-C 109.352 -1.499 . . . . 0.0 109.352 -179.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -141.52 99.11 3.49 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 178.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 26.1 p-80 -68.36 -27.81 66.57 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.514 -0.474 . . . . 0.0 111.173 -178.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 59.9 mtpt -117.16 148.86 41.21 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 179.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . 0.828 ' H ' HD22 ' A' ' 136' ' ' ASN . . . . . . . . 0 C--N 1.327 -0.408 0 CA-C-O 117.885 -1.055 . . . . 0.0 110.456 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.9 ptt? . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.8 m 56.11 45.8 22.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.836 0.35 . . . . 0.0 110.493 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -71.3 147.74 47.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.544 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.449 ' N ' ' CD ' ' A' ' 5' ' ' PRO . 7.0 t 53.5 54.04 11.88 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.516 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.449 ' CD ' ' N ' ' A' ' 4' ' ' VAL . 46.3 Cg_endo -67.88 -19.79 46.08 Favored 'Trans proline' 0 C--N 1.307 -1.621 0 C-N-CA 122.827 2.351 . . . . 0.0 112.132 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 46.9 t-80 57.63 53.17 7.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.946 179.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.9 m -70.88 148.52 94.7 Favored Pre-proline 0 CA--C 1.534 0.339 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.336 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -71.17 150.19 59.2 Favored 'Trans proline' 0 N--CA 1.495 1.605 0 C-N-CA 122.32 2.013 . . . . 0.0 112.184 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -128.27 125.13 38.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.191 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.4 t -112.7 108.14 54.18 Favored Pre-proline 0 CA--C 1.537 0.463 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.011 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -74.52 148.05 37.08 Favored 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 121.524 1.483 . . . . 0.0 111.701 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 44.4 p -73.75 158.45 86.11 Favored Pre-proline 0 CA--C 1.535 0.394 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.243 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -58.77 148.61 82.41 Favored 'Trans proline' 0 N--CA 1.498 1.786 0 C-N-CA 121.612 1.542 . . . . 0.0 111.77 179.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -59.54 -22.47 61.74 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -60.77 -40.96 94.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.837 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 56.1 t -61.94 -45.3 99.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.757 179.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 54.9 t -63.29 -39.77 86.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.102 178.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.6 mmm-85 -59.46 -41.44 89.7 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.381 -179.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -68.56 -39.67 80.94 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 75.7 mtm -63.38 -32.76 74.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.804 0.335 . . . . 0.0 111.146 -179.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.0 mp -74.71 -41.44 60.2 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.492 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -63.34 -44.77 93.92 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -178.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 40.7 pt -66.9 -35.45 74.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.022 0.439 . . . . 0.0 110.87 -178.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.28 -8.73 48.69 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.454 -179.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp 64.21 47.88 3.08 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.031 -179.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.438 HG13 ' OD1' ' A' ' 30' ' ' ASP . 76.2 t -77.76 115.57 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.994 179.69 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.55 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 70.3 m -114.46 163.82 14.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.918 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -57.68 -18.24 19.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.074 -179.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -98.2 0.38 45.73 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.864 -0.334 . . . . 0.0 111.43 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.55 ' OD1' ' N ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -109.7 143.28 39.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.66 -0.245 . . . . 0.0 110.717 -179.713 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.502 HD11 ' HA ' ' A' ' 96' ' ' ALA . 1.3 pp -91.4 156.42 3.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.549 179.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.405 ' N ' HD12 ' A' ' 31' ' ' ILE . 97.3 t -123.3 119.3 57.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.037 179.505 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.536 ' CD2' ' HB2' ' A' ' 96' ' ' ALA . 2.6 m-30 -115.6 109.18 17.4 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.047 178.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.553 ' HB1' HD13 ' A' ' 42' ' ' ILE . . . -123.4 140.86 52.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.844 0.354 . . . . 0.0 111.221 -179.191 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.424 HD12 ' H ' ' A' ' 35' ' ' LEU . 1.5 mp -106.26 1.3 25.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.308 179.599 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.474 ' O ' ' O ' ' A' ' 37' ' ' CYS . . . -95.25 16.14 61.89 Favored Glycine 0 CA--C 1.526 0.725 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.642 -179.45 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.592 ' SG ' ' N ' ' A' ' 38' ' ' GLY . 23.8 t -48.06 -104.03 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.728 0.264 . . . . 0.0 110.984 -179.494 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.592 ' N ' ' SG ' ' A' ' 37' ' ' CYS . . . 76.91 5.84 84.94 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.604 -0.998 . . . . 0.0 110.604 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.458 ' OD2' ' NE ' ' A' ' 41' ' ' ARG . 57.0 t0 -175.16 -22.12 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.868 0.366 . . . . 0.0 110.453 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.586 ' N ' ' SG ' ' A' ' 37' ' ' CYS . . . 86.22 -0.95 87.55 Favored Glycine 0 C--O 1.218 -0.875 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.458 ' NE ' ' OD2' ' A' ' 39' ' ' ASP . 95.3 mtt-85 -63.18 -26.15 68.67 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 122.276 -0.543 . . . . 0.0 110.261 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.627 HG23 HG23 ' A' ' 43' ' ' ILE . 17.5 tt -71.31 -43.12 74.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.593 -0.731 . . . . 0.0 111.33 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.627 HG23 HG23 ' A' ' 42' ' ' ILE . 34.1 pt -90.12 -30.8 5.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -179.391 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.499 HD13 ' OD1' ' A' ' 71' ' ' ASN . 69.0 mt -62.05 -41.05 89.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 111.568 0.21 . . . . 0.0 111.568 179.738 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 69.9 m -66.05 -23.88 66.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.088 0.47 . . . . 0.0 110.16 179.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.726 ' HB1' HG11 ' A' ' 52' ' ' VAL . . . -74.58 -66.46 0.74 Allowed 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.974 179.351 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.422 ' HA ' HG22 ' A' ' 52' ' ' VAL . . . -59.45 -37.72 78.88 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.525 -179.092 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -63.4 -46.63 85.54 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.736 -0.386 . . . . 0.0 111.371 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -106.98 -51.65 2.89 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -178.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.554 ' N ' ' O ' ' A' ' 46' ' ' ALA . 35.0 m-85 -71.86 -6.99 45.71 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.848 -178.331 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 58.9 t30 50.09 34.03 7.79 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.744 -0.382 . . . . 0.0 111.234 178.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.726 HG11 ' HB1' ' A' ' 46' ' ' ALA . 12.7 m -44.5 162.5 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 CA-C-O 121.266 0.555 . . . . 0.0 110.799 -179.003 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -73.23 -50.21 23.64 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.277 -0.874 . . . . 0.0 108.969 178.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.414 ' HZ1' HG21 ' A' ' 56' ' ' VAL . 12.9 ttpp -148.11 126.52 12.35 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.133 -0.94 . . . . 0.0 109.573 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.693 ' HB2' HG21 ' A' ' 52' ' ' VAL . . . -118.28 127.19 53.48 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.946 0.403 . . . . 0.0 110.321 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.414 HG21 ' HZ1' ' A' ' 54' ' ' LYS . 77.3 t -132.64 134.8 58.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.308 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -109.52 134.39 12.2 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.007 -1.237 . . . . 0.0 110.007 178.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 96.8 t -110.22 126.84 67.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 176.1 156.0 0.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.374 -179.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.576 ' O ' HG23 ' A' ' 60' ' ' ILE . 20.3 tt -135.07 121.65 34.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 179.019 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.418 ' OD1' ' O ' ' A' ' 60' ' ' ILE . 82.0 m-20 -149.28 -176.25 5.3 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.546 ' O ' HG22 ' A' ' 65' ' ' ILE . 65.7 m-20 -114.71 -69.37 0.86 Allowed 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.861 -0.335 . . . . 0.0 110.915 179.662 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -71.41 -38.79 71.41 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.905 0.384 . . . . 0.0 111.499 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 46.7 mmm-85 -80.93 -8.02 59.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.375 -178.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.546 HG22 ' O ' ' A' ' 62' ' ' ASP . 9.5 tt -69.52 -34.61 62.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 C-N-CA 120.134 -0.626 . . . . 0.0 111.037 -178.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -80.14 -29.13 38.81 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.469 -179.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -61.71 -46.21 90.63 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.254 -0.579 . . . . 0.0 110.948 -179.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.05 -42.35 98.31 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.935 -0.306 . . . . 0.0 111.712 -178.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 28.8 mt -61.67 -42.74 99.33 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.249 -0.581 . . . . 0.0 110.056 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.41 -38.9 91.33 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.352 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.534 ' OD1' ' ND2' ' A' ' 75' ' ' ASN . 57.0 t-20 -59.67 -45.79 91.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.978 -178.558 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.5 mp -55.55 -45.92 78.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.499 -0.481 . . . . 0.0 110.765 -179.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.37 -40.62 97.76 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.174 -0.61 . . . . 0.0 109.96 179.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -57.33 -39.69 76.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.139 -179.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.534 ' ND2' ' OD1' ' A' ' 71' ' ' ASN . 65.1 m-80 -90.59 2.64 55.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.372 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 49.52 40.94 32.64 Favored Glycine 0 CA--C 1.526 0.725 0 C-N-CA 120.979 -0.629 . . . . 0.0 111.708 178.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 5.3 m -107.57 16.33 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.441 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.4 p -49.01 162.0 0.13 Allowed 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.605 0.717 . . . . 0.0 111.108 -179.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 78.49 -23.66 2.83 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 114.646 -1.161 . . . . 0.0 111.206 178.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.481 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 40.7 mtt85 -110.45 -26.27 9.6 Favored 'General case' 0 C--O 1.232 0.159 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -116.87 129.42 56.06 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.215 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 57.3 m -142.49 161.59 37.66 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.434 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.33 137.93 56.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.087 179.005 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 89.3 t -125.99 129.59 72.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.009 -179.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -98.39 154.29 17.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.727 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 135.0 -163.98 24.78 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 110.558 -1.017 . . . . 0.0 110.558 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -96.04 127.01 41.68 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.274 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 37.2 p90 -51.3 -29.12 13.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.728 -179.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -61.14 -48.7 80.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.279 0.562 . . . . 0.0 109.894 179.143 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.66 -39.34 94.1 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.685 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 84.1 t -69.18 130.78 34.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.883 -179.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.411 ' O ' ' OE2' ' A' ' 95' ' ' GLU . 97.6 m-20 -92.82 130.79 38.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.887 179.56 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -115.32 6.4 7.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.171 -179.443 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.466 ' CB ' ' O ' ' A' ' 118' ' ' GLU . 93.6 p -61.38 -26.11 67.62 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.388 -178.592 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.411 ' OE2' ' O ' ' A' ' 92' ' ' ASP . 22.7 pm0 -74.17 -22.26 59.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.922 0.391 . . . . 0.0 111.312 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.536 ' HB2' ' CD2' ' A' ' 33' ' ' TYR . . . -73.68 140.82 46.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.636 -178.24 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.591 HG23 HG23 ' A' ' 98' ' ' VAL . 15.2 t -99.05 -27.25 13.93 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.118 178.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.591 HG23 HG23 ' A' ' 97' ' ' THR . 53.5 t -129.02 130.27 68.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.572 179.526 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 57.8 t -138.71 150.08 23.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.104 0.478 . . . . 0.0 111.397 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 70.3 p -127.93 160.01 33.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.747 179.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 14.3 tpt -125.02 137.93 54.22 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.775 0.321 . . . . 0.0 110.445 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.417 ' CD2' ' O ' ' A' ' 103' ' ' LEU . 88.4 t80 -127.12 148.86 50.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.663 -179.54 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.417 ' O ' ' CD2' ' A' ' 102' ' ' PHE . 78.5 mt -49.07 140.38 9.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.091 0.472 . . . . 0.0 110.847 -179.494 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 84.3 mt -110.61 153.82 24.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.302 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 98.9 m -59.85 -43.54 94.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.313 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -67.34 146.3 54.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.579 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 29.7 m -99.17 10.51 6.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.483 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -67.3 158.62 31.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.788 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -55.13 170.54 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.498 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.561 ' O ' ' N ' ' A' ' 112' ' ' LYS . 66.5 mtt -133.49 -91.68 0.36 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.523 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 3.9 mp 59.0 -70.84 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.72 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.561 ' N ' ' O ' ' A' ' 110' ' ' MET . 72.2 mmtt 55.34 69.31 2.03 Favored Pre-proline 0 C--N 1.33 -0.241 0 C-N-CA 121.011 -0.275 . . . . 0.0 111.434 179.034 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.29 -17.12 35.36 Favored 'Trans proline' 0 N--CA 1.493 1.472 0 C-N-CA 122.108 1.872 . . . . 0.0 111.24 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -58.32 -12.83 4.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.41 -179.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 94.9 mt -60.1 -36.18 76.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.05 0.452 . . . . 0.0 109.859 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -62.55 -21.62 65.7 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.644 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -100.67 -38.43 8.32 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.603 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.466 ' O ' ' CB ' ' A' ' 94' ' ' SER . 77.5 mm-40 -73.07 -52.07 15.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.889 0.376 . . . . 0.0 110.69 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 85.0 mt -86.06 136.14 33.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.022 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.443 ' HD3' ' H ' ' A' ' 120' ' ' LYS . 0.8 OUTLIER -74.37 155.9 87.52 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.217 -179.21 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -57.6 139.06 89.02 Favored 'Trans proline' 0 N--CA 1.497 1.677 0 C-N-CA 121.498 1.465 . . . . 0.0 112.131 178.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 98.87 -5.44 59.74 Favored Glycine 0 CA--C 1.522 0.472 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 1.4 m -73.83 145.99 44.51 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -101.19 131.46 47.16 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.92 0.39 . . . . 0.0 111.2 -179.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 60.6 t -123.86 129.67 74.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.892 178.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 57.4 t -119.69 122.25 68.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.222 -178.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 57.7 p -82.73 167.49 18.12 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 178.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . 0.704 ' CD2' ' H ' ' A' ' 129' ' ' GLU . 5.6 p-80 -91.14 -97.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.639 -0.425 . . . . 0.0 110.321 179.136 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.704 ' H ' ' CD2' ' A' ' 128' ' ' HIS . 3.8 tt0 -98.29 -48.97 4.87 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.958 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.527 ' CE1' ' O ' ' A' ' 131' ' ' GLU . 0.0 OUTLIER -75.12 139.57 42.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.543 -178.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.527 ' O ' ' CE1' ' A' ' 130' ' ' PHE . 88.6 tt0 -88.04 143.54 27.02 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.12 179.569 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.552 HD12 ' CE1' ' A' ' 155' ' ' TYR . 76.1 mt -73.94 112.05 10.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 120.395 -0.522 . . . . 0.0 109.978 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -73.0 141.29 47.73 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 179.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 92.4 -22.39 32.96 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 9.7 m0 -102.73 144.97 30.4 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.952 0.406 . . . . 0.0 111.176 -179.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.539 ' O ' ' CE1' ' A' ' 160' ' ' HIS . 72.4 m-20 -97.59 116.86 65.85 Favored Pre-proline 0 C--N 1.324 -0.523 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 178.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -73.18 146.35 40.64 Favored 'Trans proline' 0 N--CA 1.495 1.565 0 C-N-CA 121.583 1.522 . . . . 0.0 112.557 -178.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -84.09 -50.07 8.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.572 179.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -136.81 139.61 41.87 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.908 179.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 1.6 p -150.83 134.73 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.895 0.379 . . . . 0.0 111.097 179.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 22.9 pt -141.23 167.0 17.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.668 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 8.6 mtmm -118.27 150.8 38.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.083 179.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 57.4 t -126.89 128.61 70.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.802 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -111.48 116.98 31.8 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.001 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -136.83 98.99 3.91 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.963 -0.295 . . . . 0.0 110.575 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 96.59 -120.07 6.53 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -115.57 16.04 16.57 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.77 0.319 . . . . 0.0 110.744 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 63.8 mtt -140.3 158.05 44.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.234 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 57.7 p30 -126.44 164.51 20.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.27 0.557 . . . . 0.0 110.83 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -137.16 148.52 46.66 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.996 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 61.8 m -125.76 140.97 52.24 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 88.4 t -129.65 135.73 60.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.711 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -112.96 132.13 55.47 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.777 179.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 61.4 tp -113.1 118.79 35.73 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.657 179.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . 0.552 ' CE1' HD12 ' A' ' 132' ' ' ILE . 96.5 m-85 -111.9 167.4 10.4 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 179.497 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . 0.478 ' O ' ' CD2' ' A' ' 160' ' ' HIS . 67.5 t -134.12 126.58 50.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.372 178.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' ILE . . . . . . . . . . . . . 44.0 mm -71.4 138.22 22.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.692 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 125.49 -33.63 3.56 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.679 -0.968 . . . . 0.0 110.679 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . 0.55 ' O ' ' CG ' ' A' ' 160' ' ' HIS . 88.4 tt0 -149.15 100.41 3.04 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-O 120.958 0.409 . . . . 0.0 110.124 178.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . 0.55 ' CG ' ' O ' ' A' ' 159' ' ' GLU . 3.1 m-70 -169.64 178.37 4.16 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.544 -179.623 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . 0.65 ' O ' ' HB2' ' A' ' 162' ' ' ALA . 16.0 ttmt 83.19 -16.88 0.54 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.243 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . 0.65 ' HB2' ' O ' ' A' ' 161' ' ' LYS . . . . . . . . 0 C--O 1.221 -0.416 0 CA-C-O 117.961 -1.018 . . . . 0.0 110.494 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.492 1.638 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.8 t -63.08 139.9 58.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.368 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -110.41 125.57 53.39 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.541 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.461 ' N ' ' HD2' ' A' ' 5' ' ' PRO . 0.6 OUTLIER -68.86 -44.45 30.3 Favored Pre-proline 0 CA--C 1.535 0.392 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.622 179.835 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.461 ' HD2' ' N ' ' A' ' 4' ' ' VAL . 72.1 Cg_endo -75.28 155.22 41.61 Favored 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 121.61 1.54 . . . . 0.0 112.251 -179.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -141.08 70.97 1.35 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.955 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.642 ' N ' ' CD ' ' A' ' 8' ' ' PRO . 0.7 OUTLIER -65.45 -39.33 33.02 Favored Pre-proline 0 C--N 1.328 -0.345 0 C-N-CA 120.671 -0.412 . . . . 0.0 111.218 179.611 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 7' ' ' VAL . 46.6 Cg_exo -59.37 150.08 77.21 Favored 'Trans proline' 0 C--N 1.303 -1.832 0 C-N-CA 122.713 2.275 . . . . 0.0 112.151 179.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.448 ' CD2' ' N ' ' A' ' 10' ' ' VAL . 40.0 t80 -55.93 150.35 13.53 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.149 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.537 ' O ' HG23 ' A' ' 10' ' ' VAL . 31.2 m -127.7 125.82 23.81 Favored Pre-proline 0 C--N 1.327 -0.383 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 178.473 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.516 ' O ' ' O ' ' A' ' 10' ' ' VAL . 53.1 Cg_exo -35.84 -106.57 0.0 OUTLIER 'Trans proline' 0 N--CA 1.497 1.695 0 C-N-CA 122.389 2.059 . . . . 0.0 112.977 -179.23 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 56.7 p -97.98 119.62 61.78 Favored Pre-proline 0 CA--C 1.535 0.39 0 O-C-N 121.781 -0.575 . . . . 0.0 109.944 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_endo -76.78 157.05 35.38 Favored 'Trans proline' 0 N--CA 1.491 1.329 0 C-N-CA 121.607 1.538 . . . . 0.0 112.273 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -59.29 -15.54 16.46 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.932 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -59.9 -39.41 85.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.264 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 74.6 t -61.72 -46.92 95.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.353 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 54.0 t -64.52 -39.42 85.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.46 179.02 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.8 mmm-85 -58.88 -41.7 87.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.312 -178.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -66.47 -38.61 87.71 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.556 -0.457 . . . . 0.0 111.474 179.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 64.6 mtt -62.34 -36.55 82.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.484 -179.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.2 mp -72.55 -40.53 66.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.12 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -63.13 -45.36 92.32 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.807 0.337 . . . . 0.0 111.881 -179.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.53 ' HB ' HD22 ' A' ' 154' ' ' LEU . 38.0 pt -70.95 -33.0 50.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.922 -179.004 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.433 ' HB1' HG13 ' A' ' 98' ' ' VAL . . . -81.28 30.26 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.255 -179.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.424 ' H ' ' C ' ' A' ' 23' ' ' ILE . 72.5 mmtt 33.54 50.66 0.3 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.403 -0.817 . . . . 0.0 112.0 177.478 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.423 HG22 HG11 ' A' ' 98' ' ' VAL . 91.5 t -85.7 112.33 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 120.265 -0.574 . . . . 0.0 111.022 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.8 t -114.67 171.4 7.66 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.738 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -61.23 -18.72 59.75 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.887 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 29' ' ' ASP . 52.6 t0 -94.13 -14.85 25.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.939 -179.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -96.05 144.74 26.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.838 0.352 . . . . 0.0 110.916 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.564 HD11 ' HA ' ' A' ' 96' ' ' ALA . 1.6 pp -95.1 160.53 2.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.521 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 95.4 t -125.25 120.83 59.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.234 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 1.8 m-30 -116.44 102.09 9.21 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 178.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.59 ' HB1' HD13 ' A' ' 42' ' ' ILE . . . -118.46 143.58 46.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.011 0.434 . . . . 0.0 111.416 -178.652 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.458 HD12 ' H ' ' A' ' 35' ' ' LEU . 0.8 OUTLIER -109.05 3.62 22.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.466 179.747 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.468 ' O ' ' O ' ' A' ' 37' ' ' CYS . . . -95.41 13.43 66.67 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.56 -0.616 . . . . 0.0 111.56 -179.585 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.594 ' SG ' ' N ' ' A' ' 40' ' ' GLY . 13.7 t -42.54 -100.08 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.661 0.267 . . . . 0.0 111.056 -179.399 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.565 ' N ' ' SG ' ' A' ' 37' ' ' CYS . . . 76.25 5.28 81.12 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' A' ' 40' ' ' GLY . 48.8 p30 179.86 -21.5 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 120.692 0.282 . . . . 0.0 110.589 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.594 ' N ' ' SG ' ' A' ' 37' ' ' CYS . . . 91.05 -7.34 81.13 Favored Glycine 0 C--O 1.22 -0.767 0 N-CA-C 110.527 -1.029 . . . . 0.0 110.527 -179.679 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.8 tpp85 -56.22 -28.2 57.5 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.048 0.452 . . . . 0.0 110.341 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.618 HG23 HG23 ' A' ' 43' ' ' ILE . 18.0 tt -69.25 -44.48 80.54 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.478 -179.494 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.618 HG23 HG23 ' A' ' 42' ' ' ILE . 29.7 pt -89.32 -29.62 5.15 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -179.212 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 73.2 mt -61.64 -42.24 93.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.65 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 75.4 m -65.54 -23.16 66.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.147 0.498 . . . . 0.0 110.165 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.718 ' HB1' HG11 ' A' ' 52' ' ' VAL . . . -75.69 -66.39 0.78 Allowed 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.92 179.356 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.58 -38.5 81.36 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.473 -179.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -62.86 -45.91 90.36 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.561 -0.455 . . . . 0.0 111.248 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -106.76 -52.33 2.79 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -178.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.574 ' N ' ' O ' ' A' ' 46' ' ' ALA . 33.8 m-85 -72.35 -6.92 46.69 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -178.352 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 57.8 t30 51.52 33.09 9.82 Favored 'General case' 0 C--N 1.331 -0.216 0 O-C-N 122.092 -0.38 . . . . 0.0 111.756 178.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.749 HG21 ' HB2' ' A' ' 55' ' ' ALA . 3.0 m -53.79 126.29 9.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.364 0.602 . . . . 0.0 110.893 -179.158 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -46.86 -45.21 20.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.207 -178.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.556 ' NZ ' ' CG2' ' A' ' 56' ' ' VAL . 17.8 tttm -141.54 127.9 19.93 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.905 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.749 ' HB2' HG21 ' A' ' 52' ' ' VAL . . . -127.68 130.51 48.99 Favored 'General case' 0 C--N 1.333 -0.111 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 179.59 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.556 ' CG2' ' NZ ' ' A' ' 54' ' ' LYS . 58.6 t -135.59 135.35 51.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.522 -179.284 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -109.16 126.44 8.1 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 109.755 -1.338 . . . . 0.0 109.755 178.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 96.2 t -98.44 123.0 50.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.45 ' OE1' ' N ' ' A' ' 38' ' ' GLY . 88.3 tt0 -173.14 148.34 1.68 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.751 -179.642 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.671 ' O ' HG23 ' A' ' 60' ' ' ILE . 16.8 tt -133.98 113.38 17.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 178.643 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.491 ' ND2' HH21 ' A' ' 64' ' ' ARG . 36.5 t30 -151.32 179.46 8.31 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 179.389 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.593 ' O ' HG22 ' A' ' 65' ' ' ILE . 97.9 m-20 -106.91 -65.59 1.08 Allowed 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.725 -0.39 . . . . 0.0 111.672 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -69.54 -38.97 77.72 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 -178.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.491 HH21 ' ND2' ' A' ' 61' ' ' ASN . 84.2 mtt85 -77.1 -7.9 56.55 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.319 -178.556 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.593 HG22 ' O ' ' A' ' 62' ' ' ASP . 15.8 tt -61.63 -38.73 80.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 120.451 -0.5 . . . . 0.0 111.272 -178.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.457 ' N ' ' CG2' ' A' ' 65' ' ' ILE . 33.0 ptt180 -80.78 -31.02 35.91 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.294 -178.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -60.8 -50.91 71.55 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 120.099 -0.641 . . . . 0.0 111.145 -178.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.22 -40.91 97.67 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 112.608 0.596 . . . . 0.0 112.608 -178.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 36.7 mt -60.44 -40.64 91.84 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.375 -0.53 . . . . 0.0 110.15 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.3 -38.13 89.94 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.7 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -66.3 -24.87 66.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.17 -178.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.5 mp -74.1 -48.61 37.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 178.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.7 -39.11 93.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.184 179.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -56.82 -40.02 75.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.285 -179.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 66.0 m-80 -93.52 4.09 54.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.894 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 49.51 42.58 35.08 Favored Glycine 0 CA--C 1.525 0.698 0 C-N-CA 121.178 -0.534 . . . . 0.0 111.958 178.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 5.1 m -107.92 15.8 7.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 C-N-CA 120.689 -0.404 . . . . 0.0 111.583 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.1 p -46.69 162.75 0.04 OUTLIER 'General case' 0 CA--C 1.513 -0.451 0 CA-C-O 121.484 0.659 . . . . 0.0 111.212 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 77.66 -32.48 1.66 Allowed Glycine 0 N--CA 1.444 -0.778 0 CA-C-N 114.839 -1.073 . . . . 0.0 111.159 179.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.6 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 51.8 mtt-85 -102.13 -25.74 13.61 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 116.981 0.391 . . . . 0.0 110.284 -179.53 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -122.76 135.4 54.55 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.318 -179.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 96.8 p -151.18 168.8 23.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.324 -179.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.02 137.27 58.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.246 179.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 94.3 t -126.98 131.65 70.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.021 -179.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 29.6 mtmm -101.12 152.69 20.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.038 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 148.25 -174.25 28.0 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 179.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.571 ' O ' HG23 ' A' ' 91' ' ' VAL . 98.6 m-20 -83.22 137.32 34.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.971 0.415 . . . . 0.0 110.612 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -59.28 -38.84 81.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.566 -178.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -65.68 -41.55 92.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.259 0.552 . . . . 0.0 110.02 179.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -67.67 -37.31 82.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.357 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 87' ' ' ASN . 87.0 t -68.71 125.1 25.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.186 0.517 . . . . 0.0 111.436 -178.69 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -100.57 125.63 46.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.915 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.448 HD12 HG11 ' A' ' 99' ' ' VAL . 46.9 pt -111.34 18.54 7.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.807 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 91.9 p -60.51 -27.82 67.9 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.167 -178.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -74.04 -21.14 60.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.847 0.355 . . . . 0.0 111.043 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.564 ' HA ' HD11 ' A' ' 31' ' ' ILE . . . -72.96 140.76 47.62 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.383 -178.576 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.794 HG23 HG23 ' A' ' 98' ' ' VAL . 9.9 t -100.35 -25.48 14.21 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.845 178.231 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.794 HG23 HG23 ' A' ' 97' ' ' THR . 75.7 t -131.92 131.67 61.68 Favored 'Isoleucine or valine' 0 C--O 1.231 0.101 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.348 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.448 HG11 HD12 ' A' ' 93' ' ' ILE . 20.3 m -138.94 153.5 25.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.033 0.444 . . . . 0.0 111.01 179.053 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 70.9 p -139.68 159.71 41.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.206 179.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 99.1 mtp -128.2 131.9 48.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.183 179.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.476 ' O ' ' CD2' ' A' ' 102' ' ' PHE . 85.5 t80 -153.37 82.75 1.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.464 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.47 ' CD2' ' O ' ' A' ' 105' ' ' THR . 58.2 tp -149.89 135.28 18.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.171 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 60.0 tp -61.02 -43.29 99.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.543 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.47 ' O ' ' CD2' ' A' ' 103' ' ' LEU . 97.1 m -110.87 129.34 55.9 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.871 -179.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 56.2 p30 -150.65 174.25 13.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.45 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.552 HG12 ' H ' ' A' ' 109' ' ' GLU . 83.3 t -120.84 124.38 72.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.699 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -101.04 7.69 43.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.403 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.552 ' H ' HG12 ' A' ' 107' ' ' VAL . 99.9 mt-10 -83.61 139.07 33.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.644 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.565 ' O ' HD12 ' A' ' 111' ' ' LEU . 63.5 mtt 43.53 28.91 0.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.78 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.565 HD12 ' O ' ' A' ' 110' ' ' MET . 1.3 mp -130.76 95.42 3.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.489 179.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.403 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 6.1 mtmt 177.72 -56.35 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.551 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.403 ' HD2' ' N ' ' A' ' 112' ' ' LYS . 58.5 Cg_endo -72.17 -19.79 25.64 Favored 'Trans proline' 0 N--CA 1.493 1.474 0 C-N-CA 121.909 1.739 . . . . 0.0 112.462 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -65.31 -35.85 82.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.905 179.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 97.9 mt -59.44 -37.06 77.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.462 -178.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.54 -22.73 67.05 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.835 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -99.66 -42.1 7.02 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.935 -179.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -72.15 -52.8 14.94 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.858 -179.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.483 HD13 HG21 ' A' ' 123' ' ' THR . 88.5 mt -86.78 128.51 35.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.292 -179.412 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -73.92 153.07 88.95 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.389 -179.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -52.0 136.07 52.16 Favored 'Trans proline' 0 N--CA 1.496 1.647 0 C-N-CA 121.621 1.547 . . . . 0.0 112.307 179.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 103.16 -6.74 51.13 Favored Glycine 0 CA--C 1.52 0.36 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . 0.483 HG21 HD13 ' A' ' 119' ' ' LEU . 16.0 m -71.37 142.18 50.36 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.092 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -98.14 129.17 44.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.001 0.429 . . . . 0.0 110.476 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 59.9 t -122.75 128.64 75.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.979 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 52.6 t -119.84 121.45 66.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.692 -179.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 4.1 t -93.08 159.07 15.46 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.299 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . 0.572 ' CG ' ' N ' ' A' ' 129' ' ' GLU . 78.8 t60 -71.43 -103.04 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.468 -179.439 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.572 ' N ' ' CG ' ' A' ' 128' ' ' HIS . 52.0 tp10 -106.74 -25.26 11.81 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.825 -179.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -80.49 138.09 36.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.91 -179.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -91.17 138.48 31.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.246 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 64.7 mt -70.54 114.07 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.451 -0.5 . . . . 0.0 109.854 -179.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 20.0 tpt180 -74.49 139.47 43.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.575 179.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 90.48 -22.15 28.74 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.236 -0.745 . . . . 0.0 111.236 179.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.59 ' CZ3' ' CE2' ' A' ' 155' ' ' TYR . 16.7 m0 -106.39 154.07 21.34 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.559 HD22 ' C ' ' A' ' 135' ' ' TRP . 2.0 m120 -112.08 99.86 47.32 Favored Pre-proline 0 CA--C 1.535 0.379 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.104 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo -55.62 151.68 37.72 Favored 'Trans proline' 0 N--CA 1.498 1.739 0 C-N-CA 122.356 2.037 . . . . 0.0 111.919 179.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -87.33 -51.61 5.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.002 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -125.8 123.1 38.02 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.739 -179.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 58.0 t -129.13 126.47 64.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.756 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 24.2 pt -141.71 164.14 19.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.462 -0.495 . . . . 0.0 111.36 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 20.7 mtmt -121.54 150.32 41.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.399 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 60.0 t -126.28 129.74 72.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.826 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -109.99 119.15 38.39 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.836 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -139.15 97.56 3.33 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.818 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 97.6 -120.67 6.83 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -114.79 15.6 17.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.749 0.309 . . . . 0.0 110.307 179.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . 0.506 ' N ' ' SD ' ' A' ' 148' ' ' MET . 2.7 mpp? -141.19 157.38 45.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.503 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 49.6 p30 -124.82 166.34 16.41 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.24 0.543 . . . . 0.0 110.73 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -138.22 148.24 44.57 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.044 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.423 ' O ' ' O ' ' A' ' 128' ' ' HIS . 61.6 m -124.01 139.31 54.07 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 179.707 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 70.4 t -128.5 131.08 69.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.182 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -106.83 131.25 54.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.128 -179.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.53 HD22 ' HB ' ' A' ' 23' ' ' ILE . 64.7 tp -115.54 124.81 51.97 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.757 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . 0.59 ' CE2' ' CZ3' ' A' ' 135' ' ' TRP . 72.6 t80 -139.6 131.45 27.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.813 0.34 . . . . 0.0 111.231 -179.526 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 6.4 p -98.22 139.56 20.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.686 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' ILE . . . . . . . . . . . . . 47.6 mm -73.56 135.07 28.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.307 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 140.17 -32.94 2.14 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . 0.453 ' O ' ' OH ' ' A' ' 155' ' ' TYR . 52.8 tp10 -146.93 115.65 6.79 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 179.3 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . 0.566 ' O ' ' N ' ' A' ' 162' ' ' ALA . 25.8 p80 -108.82 -139.13 0.38 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.366 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . 0.48 ' C ' ' O ' ' A' ' 160' ' ' HIS . 14.4 mtmt 20.25 -81.65 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.514 0 O-C-N 123.638 0.586 . . . . 0.0 112.312 -179.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . 0.566 ' N ' ' O ' ' A' ' 160' ' ' HIS . . . . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 117.952 -1.023 . . . . 0.0 110.626 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.3 mtm . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.468 -0.568 . . . . 0.0 109.468 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.5 p -152.91 160.56 43.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.476 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.411 ' O ' ' CG ' ' A' ' 3' ' ' TYR . 17.8 t80 177.27 -19.17 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.775 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.587 ' N ' ' CD ' ' A' ' 5' ' ' PRO . 1.4 t -61.72 -39.97 65.47 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.135 -179.535 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 4' ' ' VAL . 31.7 Cg_exo -60.59 138.16 78.26 Favored 'Trans proline' 0 N--CA 1.496 1.674 0 C-N-CA 122.022 1.815 . . . . 0.0 111.94 -179.647 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.534 ' CG ' ' O ' ' A' ' 5' ' ' PRO . 0.9 OUTLIER 163.69 -85.09 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.135 0.493 . . . . 0.0 110.223 179.83 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.695 ' O ' HG23 ' A' ' 7' ' ' VAL . 33.2 m -130.03 71.42 82.2 Favored Pre-proline 0 C--N 1.32 -0.707 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.429 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.4 152.19 65.84 Favored 'Trans proline' 0 N--CA 1.492 1.406 0 C-N-CA 122.123 1.882 . . . . 0.0 112.373 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -118.96 132.07 56.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.322 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 58.3 t -111.99 105.01 56.47 Favored Pre-proline 0 CA--C 1.537 0.478 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.73 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -72.92 -34.4 6.62 Favored 'Trans proline' 0 N--CA 1.493 1.479 0 C-N-CA 121.436 1.424 . . . . 0.0 113.028 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -44.75 107.65 0.65 Allowed Pre-proline 0 CA--C 1.538 0.501 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.449 -178.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -52.49 178.52 0.04 OUTLIER 'Trans proline' 0 N--CA 1.496 1.631 0 C-N-CA 122.211 1.941 . . . . 0.0 112.488 179.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.424 ' OE2' ' NH2' ' A' ' 41' ' ' ARG . 99.9 mt-10 -59.22 -13.66 8.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.263 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -48.01 -32.04 6.1 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.389 -179.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.1 t -60.83 -47.95 91.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.642 179.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 58.4 t -64.0 -39.88 87.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.29 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.8 mmm-85 -59.35 -42.9 92.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.497 -179.165 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.8 mmt85 -66.98 -38.7 86.53 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.573 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 95.8 mtp -62.09 -36.01 80.42 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.404 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.0 mp -73.37 -40.92 64.0 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.156 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -63.62 -46.2 86.81 Favored 'General case' 0 CA--C 1.521 -0.163 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -178.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.573 ' HB ' HD22 ' A' ' 154' ' ' LEU . 34.2 pt -68.17 -37.73 78.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.904 0.383 . . . . 0.0 110.961 -178.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.502 ' HB1' HG13 ' A' ' 98' ' ' VAL . . . -65.23 -13.1 57.51 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.342 -179.573 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.5 tptt 70.81 60.42 0.19 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.18 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.541 HG22 HG21 ' A' ' 98' ' ' VAL . 86.6 t -96.07 114.62 33.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.027 -179.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.437 ' H ' ' HB2' ' A' ' 30' ' ' ASP . 12.6 t -113.52 171.27 7.67 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.563 179.108 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 17.9 pm0 -60.4 -19.87 57.58 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.596 -179.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -97.45 -0.1 46.73 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.284 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.437 ' HB2' ' H ' ' A' ' 27' ' ' SER . 97.3 m-20 -106.02 137.57 43.71 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.878 0.371 . . . . 0.0 111.523 -179.378 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.647 HD13 ' CE2' ' A' ' 33' ' ' TYR . 1.1 pp -87.04 155.09 3.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.642 179.687 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.552 ' N ' HD12 ' A' ' 31' ' ' ILE . 96.4 t -124.32 118.88 55.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.245 179.57 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.814 ' CD1' ' HB2' ' A' ' 96' ' ' ALA . 10.5 m-30 -114.76 113.75 24.68 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 176.615 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.484 ' HB1' HD13 ' A' ' 42' ' ' ILE . . . -127.33 141.7 51.63 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.966 -179.349 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.4 mp -104.56 4.02 32.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.8 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.468 ' O ' ' O ' ' A' ' 37' ' ' CYS . . . -97.33 13.9 64.03 Favored Glycine 0 CA--C 1.527 0.816 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.274 -178.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.468 ' O ' ' O ' ' A' ' 36' ' ' GLY . 2.2 p -52.36 -110.65 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 117.257 0.529 . . . . 0.0 111.194 -179.609 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.16 12.19 84.28 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.196 -1.161 . . . . 0.0 110.196 -179.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.48 ' OD1' ' ND2' ' A' ' 71' ' ' ASN . 64.7 t0 -175.36 -27.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.162 0.506 . . . . 0.0 109.722 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.1 -4.38 82.96 Favored Glycine 0 C--O 1.218 -0.894 0 N-CA-C 110.751 -0.939 . . . . 0.0 110.751 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.424 ' NH2' ' OE2' ' A' ' 14' ' ' GLU . 61.3 ttm-85 -58.73 -36.61 74.58 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.204 0.526 . . . . 0.0 110.078 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.615 HG23 HG23 ' A' ' 43' ' ' ILE . 18.7 tt -62.78 -44.57 99.61 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.653 -179.553 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.615 HG23 HG23 ' A' ' 42' ' ' ILE . 39.5 pt -88.06 -29.1 5.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -179.233 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 56.4 mt -61.05 -40.76 86.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 111.58 0.215 . . . . 0.0 111.58 179.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 93.8 m -64.48 -27.48 69.01 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.162 0.506 . . . . 0.0 110.131 179.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.745 ' HB1' HG11 ' A' ' 52' ' ' VAL . . . -71.89 -68.03 0.49 Allowed 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.903 179.411 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.75 -38.68 78.96 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.584 -178.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -62.96 -46.16 89.04 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.494 -179.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -106.74 -50.99 3.01 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -178.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.556 ' N ' ' O ' ' A' ' 46' ' ' ALA . 33.8 m-85 -72.84 -7.7 52.02 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.715 -178.374 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 58.6 t30 50.24 34.24 8.46 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.264 179.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.747 HG21 ' HB2' ' A' ' 55' ' ' ALA . 10.7 m -45.2 166.35 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 CA-C-O 121.293 0.568 . . . . 0.0 111.154 -178.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -80.73 -50.91 9.27 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.168 -0.923 . . . . 0.0 109.376 178.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -143.35 116.39 8.88 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.169 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.747 ' HB2' HG21 ' A' ' 52' ' ' VAL . . . -111.67 125.26 53.76 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 179.652 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 63.0 t -133.82 135.6 55.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.566 -179.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -105.99 131.72 10.78 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 178.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 77.2 t -106.41 120.06 56.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.906 0.384 . . . . 0.0 110.366 -179.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.437 ' OE2' ' OD1' ' A' ' 61' ' ' ASN . 88.4 tt0 -175.68 152.51 1.3 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.707 179.622 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.616 ' O ' HG23 ' A' ' 60' ' ' ILE . 20.5 tt -134.73 118.63 26.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 178.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.453 ' H ' HD13 ' A' ' 65' ' ' ILE . 23.4 m120 -149.64 -176.12 5.28 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.496 ' O ' HG22 ' A' ' 65' ' ' ILE . 66.1 m-20 -108.96 -68.45 0.92 Allowed 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.839 -0.344 . . . . 0.0 111.159 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -70.47 -38.44 74.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.887 -179.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 85.0 mtp180 -80.34 -7.6 59.14 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.46 -178.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.496 HG22 ' O ' ' A' ' 62' ' ' ASP . 4.4 tp -64.89 -37.99 81.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 120.486 -0.486 . . . . 0.0 111.245 -179.081 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.428 ' N ' ' CG2' ' A' ' 65' ' ' ILE . 36.7 ptt85 -82.31 -27.31 32.35 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 -179.487 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.424 ' O ' ' ND2' ' A' ' 71' ' ' ASN . 14.6 mm-40 -60.96 -47.51 86.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.558 -179.563 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.12 -40.77 95.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.68 0.276 . . . . 0.0 111.482 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 63.0 mt -62.28 -41.8 98.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.016 0.436 . . . . 0.0 110.433 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.49 -39.69 94.31 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.804 -179.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.48 ' ND2' ' OD1' ' A' ' 39' ' ' ASP . 67.7 m-80 -60.64 -44.42 96.41 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.107 -0.637 . . . . 0.0 110.689 -178.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.5 mp -53.1 -50.0 47.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.401 -179.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -64.64 -42.37 95.49 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.507 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -57.16 -39.37 75.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.372 -178.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -92.44 3.26 55.83 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.337 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 49.82 44.0 39.4 Favored Glycine 0 CA--C 1.523 0.587 0 C-N-CA 121.104 -0.57 . . . . 0.0 112.204 177.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.1 m -104.34 11.54 8.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.029 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.63 122.43 9.83 Favored 'General case' 0 CA--C 1.52 -0.177 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.923 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 112.64 -10.87 25.72 Favored Glycine 0 CA--C 1.519 0.328 0 N-CA-C 110.106 -1.198 . . . . 0.0 110.106 -179.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.511 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 65.5 mtt180 -129.86 -25.11 2.6 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 178.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -125.83 134.35 51.68 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.941 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 97.6 p -151.12 167.7 26.94 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.891 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.97 137.29 57.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.682 179.55 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 83.6 t -120.4 126.42 75.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.201 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 17.2 ptmt -99.77 157.25 16.63 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.692 179.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 137.61 -158.97 24.76 Favored Glycine 0 CA--C 1.521 0.467 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -102.13 132.48 47.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.186 0.517 . . . . 0.0 111.416 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.467 ' HE2' ' HZ1' ' A' ' 112' ' ' LYS . 81.4 t80 -55.14 -40.16 70.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.94 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -59.42 -48.57 81.13 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -64.66 -39.87 94.45 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.904 179.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 88.0 t -71.12 131.65 34.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.206 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -103.74 130.19 51.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.358 179.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 39.5 pt -119.77 19.06 6.34 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.2 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.472 ' CB ' ' O ' ' A' ' 118' ' ' GLU . 91.7 p -60.62 -32.67 71.81 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.264 -179.494 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -73.24 -18.72 61.2 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.24 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.814 ' HB2' ' CD1' ' A' ' 33' ' ' TYR . . . -68.65 133.73 48.89 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.637 -178.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.761 HG23 HG23 ' A' ' 98' ' ' VAL . 15.2 t -95.36 -32.14 13.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.262 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.761 HG23 HG23 ' A' ' 97' ' ' THR . 71.7 t -123.48 126.61 73.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.996 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 61.8 t -137.22 145.8 29.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.058 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 67.5 p -129.48 156.89 43.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.707 179.193 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 99.5 mtp -126.36 136.72 53.06 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.878 0.371 . . . . 0.0 110.872 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -153.42 91.12 1.47 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.408 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.47 ' O ' ' CG2' ' A' ' 107' ' ' VAL . 88.1 mt -123.05 135.26 54.36 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.405 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.663 HD12 ' N ' ' A' ' 104' ' ' LEU . 8.1 mp -64.27 -40.2 95.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.553 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 61.0 p -134.9 161.8 34.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.861 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 54.58 38.66 30.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.05 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.47 ' CG2' ' O ' ' A' ' 103' ' ' LEU . 58.2 t -62.98 -44.43 99.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.952 0.406 . . . . 0.0 110.424 179.531 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.535 ' ND2' ' O ' ' A' ' 131' ' ' GLU . 52.7 p30 -152.2 -161.83 1.39 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.481 -179.591 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.524 ' CB ' ' O ' ' A' ' 108' ' ' ASN . 37.8 tt0 95.46 -21.65 0.05 Allowed 'General case' 0 N--CA 1.468 0.444 0 O-C-N 124.069 0.855 . . . . 0.0 110.302 -179.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.42 ' O ' ' O ' ' A' ' 111' ' ' LEU . 79.0 mtm -92.29 -5.28 52.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.079 -0.509 . . . . 0.0 109.683 179.077 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.42 ' O ' ' O ' ' A' ' 110' ' ' MET . 85.6 mt 60.24 137.99 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.103 -179.192 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.467 ' HZ1' ' HE2' ' A' ' 88' ' ' PHE . 18.9 tptm -132.42 70.9 79.66 Favored Pre-proline 0 CA--C 1.533 0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.564 -179.279 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -71.46 -13.46 30.35 Favored 'Trans proline' 0 N--CA 1.496 1.631 0 C-N-CA 122.465 2.11 . . . . 0.0 111.951 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -60.59 -23.57 64.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.776 -179.158 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 95.9 mt -61.35 -34.13 74.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.041 0.448 . . . . 0.0 110.02 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.518 ' OE2' ' CD2' ' A' ' 160' ' ' HIS . 96.6 mt-10 -64.04 -23.53 67.36 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.374 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.454 ' CD ' ' C ' ' A' ' 117' ' ' LYS . 0.0 OUTLIER -99.0 -44.72 6.21 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.632 -179.458 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.472 ' O ' ' CB ' ' A' ' 94' ' ' SER . 80.5 mm-40 -68.72 -52.36 31.59 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.763 -179.662 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.429 HD13 HG21 ' A' ' 123' ' ' THR . 87.1 mt -87.58 130.31 34.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.687 -179.349 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -71.92 153.3 92.97 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.012 179.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -56.55 138.9 86.37 Favored 'Trans proline' 0 C--N 1.312 -1.395 0 C-N-CA 121.706 1.604 . . . . 0.0 111.999 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 102.13 -5.84 53.21 Favored Glycine 0 CA--C 1.522 0.488 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . 0.429 HG21 HD13 ' A' ' 119' ' ' LEU . 6.9 m -72.79 143.29 47.97 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 178.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.513 ' NH2' ' OG1' ' A' ' 97' ' ' THR . 2.8 mpt_? -97.78 129.91 44.76 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.861 0.362 . . . . 0.0 110.744 -179.7 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 58.6 t -123.44 127.88 74.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.041 179.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 56.4 t -120.39 122.83 69.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.424 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 50.8 m -92.06 163.44 13.97 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.326 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . 0.494 ' CG ' ' N ' ' A' ' 129' ' ' GLU . 21.0 t-160 -74.45 -103.92 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.545 -179.464 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.494 ' N ' ' CG ' ' A' ' 128' ' ' HIS . 52.8 tp10 -103.32 -34.42 8.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.002 -179.494 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -80.09 139.88 36.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.047 0.451 . . . . 0.0 111.335 -178.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.535 ' O ' ' ND2' ' A' ' 108' ' ' ASN . 24.5 pt-20 -84.4 161.83 20.21 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.425 179.651 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 72.1 mt -92.86 119.15 40.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -77.2 140.75 40.22 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 89.5 -23.46 19.05 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 12.5 m0 -104.71 147.13 28.01 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.978 0.418 . . . . 0.0 110.808 -179.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.528 ' O ' ' CE1' ' A' ' 155' ' ' TYR . 37.9 t-20 -100.75 114.99 65.85 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.82 179.592 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -71.09 149.32 58.22 Favored 'Trans proline' 0 N--CA 1.496 1.64 0 C-N-CA 121.607 1.538 . . . . 0.0 112.314 -179.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -87.29 -57.78 2.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.364 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 54.1 tt0 -129.32 128.4 43.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.652 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 1.4 p -142.08 131.75 23.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.953 0.406 . . . . 0.0 110.858 179.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 23.0 pt -138.81 167.3 21.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.516 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 8.6 mtmm -118.07 150.81 38.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.246 179.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 62.4 t -125.71 129.16 72.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.696 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . 0.414 ' N ' ' OE1' ' A' ' 144' ' ' GLU . 43.9 mp0 -112.04 115.27 28.64 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 179.521 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -134.43 98.75 4.17 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.886 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 96.71 -120.56 6.71 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -114.56 16.19 17.64 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.608 0.242 . . . . 0.0 110.42 179.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 63.9 mtt -140.95 158.72 43.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.279 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 49.9 p30 -127.86 165.86 19.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.173 0.511 . . . . 0.0 110.758 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -139.27 151.09 46.19 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.284 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.419 ' O ' ' O ' ' A' ' 128' ' ' HIS . 63.8 m -126.13 140.95 52.16 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 90.1 t -130.8 131.89 64.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.657 0.265 . . . . 0.0 110.802 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -106.81 132.88 52.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.359 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.573 HD22 ' HB ' ' A' ' 23' ' ' ILE . 66.7 tp -117.0 127.71 54.45 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.531 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . 0.528 ' CE1' ' O ' ' A' ' 136' ' ' ASN . 77.1 t80 -147.26 137.6 23.33 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 119.805 -0.758 . . . . 0.0 111.799 -179.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 88.1 t -96.6 137.3 24.77 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.422 -179.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' ILE . . . . . 0.594 HG22 ' N ' ' A' ' 158' ' ' GLY . 51.1 mm -68.53 162.57 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.577 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . 0.594 ' N ' HG22 ' A' ' 157' ' ' ILE . . . 113.39 -24.64 12.1 Favored Glycine 0 CA--C 1.522 0.499 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . 0.435 ' C ' ' OH ' ' A' ' 155' ' ' TYR . 98.9 mt-10 -138.67 166.75 23.55 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 179.444 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . 0.623 ' ND1' ' N ' ' A' ' 161' ' ' LYS . 31.7 p80 -165.19 -132.96 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.241 -0.583 . . . . 0.0 110.654 179.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . 0.623 ' N ' ' ND1' ' A' ' 160' ' ' HIS . 34.7 ttmt -45.53 144.96 1.38 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.589 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.791 -179.472 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.3 mtt . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.3 p -64.18 -21.81 66.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.921 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -82.67 133.09 35.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.732 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.648 ' O ' HG23 ' A' ' 4' ' ' VAL . 33.7 m -133.03 71.49 77.68 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.89 179.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_exo -54.28 -42.2 69.57 Favored 'Trans proline' 0 N--CA 1.497 1.716 0 C-N-CA 122.427 2.085 . . . . 0.0 112.457 -179.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -135.24 42.21 2.75 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.194 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.7 t 48.62 72.06 1.39 Allowed Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 179.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.424 ' O ' HG23 ' A' ' 10' ' ' VAL . 50.4 Cg_exo -55.76 142.87 82.5 Favored 'Trans proline' 0 C--N 1.302 -1.902 0 C-N-CA 123.199 2.599 . . . . 0.0 112.206 -179.7 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -62.08 130.95 47.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.971 -179.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 8' ' ' PRO . 51.1 t -136.59 102.83 9.45 Favored Pre-proline 0 CA--C 1.536 0.43 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.827 179.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -78.55 148.86 23.56 Favored 'Trans proline' 0 N--CA 1.492 1.433 0 C-N-CA 121.733 1.622 . . . . 0.0 111.737 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 56.9 p -66.23 151.75 95.23 Favored Pre-proline 0 CA--C 1.534 0.327 0 CA-C-N 116.767 -0.197 . . . . 0.0 110.737 -179.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -71.3 164.4 35.85 Favored 'Trans proline' 0 N--CA 1.496 1.632 0 C-N-CA 122.53 2.153 . . . . 0.0 112.565 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.42 ' O ' HG22 ' A' ' 17' ' ' VAL . 54.8 mp0 -67.31 -17.84 64.93 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.954 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -59.79 -29.55 68.29 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.464 -0.495 . . . . 0.0 109.821 -179.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 79.0 t -65.67 -44.15 93.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.237 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.42 HG22 ' O ' ' A' ' 14' ' ' GLU . 2.4 m -70.77 -25.92 27.15 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 C-N-CA 119.967 -0.693 . . . . 0.0 110.393 -179.42 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.46 ' NH2' ' OD2' ' A' ' 49' ' ' ASP . 10.0 mmm180 -61.59 -40.75 95.9 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.015 179.28 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.9 mmt180 -69.6 -40.17 76.82 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.834 -0.346 . . . . 0.0 111.713 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 74.4 mtm -63.44 -35.04 79.11 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.223 0.535 . . . . 0.0 110.351 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 84.1 mt -70.77 -40.95 72.33 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.465 -0.789 . . . . 0.0 112.036 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -65.89 -44.32 85.65 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -178.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.2 pt -67.35 -34.54 69.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.85 -178.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.04 -10.55 59.04 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.541 -179.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.6 tptm 69.5 49.97 0.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.132 0.491 . . . . 0.0 110.547 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.857 HG13 ' OD2' ' A' ' 30' ' ' ASP . 65.6 t -85.17 116.39 28.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.946 -179.604 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.472 ' H ' ' HB3' ' A' ' 30' ' ' ASP . 80.5 p -116.55 170.33 8.65 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.665 179.503 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -59.85 -21.05 60.43 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.76 -178.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.453 ' OD1' ' OG ' ' A' ' 27' ' ' SER . 44.8 p30 -100.25 10.65 40.92 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.431 -179.594 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.857 ' OD2' HG13 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -113.83 136.27 53.05 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.934 0.397 . . . . 0.0 111.294 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.643 HD13 ' CE2' ' A' ' 33' ' ' TYR . 1.1 pp -88.29 156.61 3.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.583 179.608 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.571 ' N ' HD12 ' A' ' 31' ' ' ILE . 86.7 t -127.31 118.23 49.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.479 179.258 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.851 ' CD1' ' HB2' ' A' ' 96' ' ' ALA . 10.4 m-30 -112.66 105.26 13.39 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 176.693 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.473 ' HB1' HD13 ' A' ' 42' ' ' ILE . . . -111.77 134.58 53.24 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.019 0.438 . . . . 0.0 111.297 -179.083 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.774 HD12 ' SD ' ' A' ' 101' ' ' MET . 97.0 mt -88.24 -8.07 55.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.666 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -108.18 69.42 0.21 Allowed Glycine 0 CA--C 1.528 0.901 0 C-N-CA 121.183 -0.532 . . . . 0.0 113.06 -178.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.59 ' SG ' ' N ' ' A' ' 38' ' ' GLY . 11.1 t -89.11 -101.21 0.09 Allowed 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 178.223 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.59 ' N ' ' SG ' ' A' ' 37' ' ' CYS . . . 77.65 6.75 87.09 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.061 -0.815 . . . . 0.0 111.061 179.163 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.458 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 66.8 t0 -177.07 -25.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.043 0.449 . . . . 0.0 109.895 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.567 ' N ' ' SG ' ' A' ' 37' ' ' CYS . . . 90.02 -7.01 82.44 Favored Glycine 0 C--O 1.216 -0.999 0 N-CA-C 110.173 -1.171 . . . . 0.0 110.173 -179.576 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 50.0 ttm-85 -57.46 -26.8 61.76 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.178 0.513 . . . . 0.0 110.023 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.607 HG23 HG23 ' A' ' 43' ' ' ILE . 20.1 tt -69.88 -42.97 79.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.262 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.607 HG23 HG23 ' A' ' 42' ' ' ILE . 26.3 pt -91.35 -30.06 4.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -179.305 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 73.6 mt -61.71 -43.1 96.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 111.694 0.257 . . . . 0.0 111.694 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 65.9 m -63.51 -22.5 66.93 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.346 0.593 . . . . 0.0 109.553 179.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.748 ' HB1' HG11 ' A' ' 52' ' ' VAL . . . -74.59 -66.38 0.75 Allowed 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.701 179.101 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.36 -38.69 81.08 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.643 -178.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -62.42 -46.91 86.42 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.589 -0.445 . . . . 0.0 111.223 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.46 ' OD2' ' NH2' ' A' ' 18' ' ' ARG . 64.6 t0 -105.94 -52.1 2.87 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 -178.357 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.575 ' N ' ' O ' ' A' ' 46' ' ' ALA . 45.3 m-85 -72.67 -6.47 44.63 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.087 0.402 . . . . 0.0 112.087 -178.241 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 57.7 t30 50.26 33.93 8.05 Favored 'General case' 0 C--N 1.332 -0.181 0 O-C-N 122.119 -0.363 . . . . 0.0 111.82 178.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.748 HG11 ' HB1' ' A' ' 46' ' ' ALA . 3.0 m -54.07 128.94 14.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.284 0.564 . . . . 0.0 111.189 -178.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -46.73 -47.11 20.64 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.907 -178.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -142.93 126.82 17.21 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.651 -0.419 . . . . 0.0 110.155 178.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.735 ' HB2' HG21 ' A' ' 52' ' ' VAL . . . -119.64 123.96 45.14 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 179.285 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 68.0 t -131.93 135.64 58.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.002 -179.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -118.52 139.46 14.55 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.446 -1.062 . . . . 0.0 110.446 179.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 93.3 t -108.79 126.75 65.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -172.42 148.63 2.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.368 -179.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.618 ' O ' HG23 ' A' ' 60' ' ' ILE . 19.7 tt -135.52 117.01 19.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.979 179.1 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.435 ' ND2' ' O ' ' A' ' 60' ' ' ILE . 29.8 m120 -149.65 -178.61 6.54 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.522 ' O ' HG22 ' A' ' 65' ' ' ILE . 98.7 m-20 -108.83 -68.19 0.93 Allowed 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.626 179.492 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -70.17 -38.87 75.51 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.919 0.39 . . . . 0.0 111.954 -179.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 -80.69 -7.37 59.3 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.766 -178.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.522 HG22 ' O ' ' A' ' 62' ' ' ASP . 13.2 tt -63.5 -38.83 83.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 C-N-CA 120.231 -0.588 . . . . 0.0 111.204 -178.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.457 ' N ' ' CG2' ' A' ' 65' ' ' ILE . 40.3 ptt85 -82.31 -27.94 31.98 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.103 -179.229 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.99 -47.68 85.34 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.013 -179.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.81 -40.32 94.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.7 0.286 . . . . 0.0 111.657 -179.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.583 HD23 HD11 ' A' ' 83' ' ' ILE . 24.4 mt -61.77 -41.19 97.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.066 0.46 . . . . 0.0 110.067 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.61 -38.78 92.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.044 -179.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.436 ' OD1' ' OD1' ' A' ' 75' ' ' ASN . 64.9 t-20 -58.88 -43.43 90.93 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.728 -0.389 . . . . 0.0 111.02 -178.414 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.501 HG23 HG23 ' A' ' 77' ' ' VAL . 69.6 mt -57.31 -46.08 85.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 C-N-CA 120.839 -0.344 . . . . 0.0 111.169 -178.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.36 -41.44 98.61 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.063 -0.655 . . . . 0.0 109.407 179.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.4 tptp -56.21 -38.43 71.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.213 -179.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.436 ' OD1' ' OD1' ' A' ' 71' ' ' ASN . 33.6 m120 -93.76 3.95 54.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.539 -179.683 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 48.6 42.37 27.37 Favored Glycine 0 CA--C 1.525 0.661 0 C-N-CA 120.826 -0.702 . . . . 0.0 111.704 178.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.501 HG23 HG23 ' A' ' 72' ' ' ILE . 6.9 m -110.61 16.23 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 121.098 -0.241 . . . . 0.0 111.539 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.3 p -46.49 163.34 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 120.366 -0.533 . . . . 0.0 110.87 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 77.31 -37.05 1.55 Allowed Glycine 0 CA--C 1.523 0.576 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.323 178.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.652 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 56.8 mtt-85 -96.21 -24.06 16.42 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -119.92 130.18 54.69 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.577 -179.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 89.6 p -145.81 163.61 34.49 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.093 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.583 HD11 HD23 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -130.43 139.9 50.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.305 179.669 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 96.3 t -124.58 128.8 73.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.62 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.4 ptmm? -99.03 154.73 17.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.804 0.335 . . . . 0.0 110.288 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 128.58 -161.94 22.24 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 109.908 -1.277 . . . . 0.0 109.908 -179.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -95.9 124.7 40.02 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.296 -0.562 . . . . 0.0 110.42 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.432 ' CE1' ' CE1' ' A' ' 89' ' ' PHE . 20.6 p90 -49.7 -19.05 0.55 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.172 -179.088 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.432 ' CE1' ' CE1' ' A' ' 88' ' ' PHE . 42.4 m-85 -66.02 -41.81 90.47 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.493 -0.483 . . . . 0.0 109.948 178.705 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -67.08 -39.41 86.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.149 179.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 86.3 t -70.91 130.13 34.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.141 -179.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.446 ' OD1' ' O ' ' A' ' 92' ' ' ASP . 49.9 p-10 -94.16 132.1 39.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.314 179.32 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 35.8 pt -122.17 12.43 5.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.67 -179.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.431 ' CB ' ' O ' ' A' ' 118' ' ' GLU . 47.3 t -58.02 -37.59 74.62 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.736 -0.386 . . . . 0.0 111.432 -178.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -70.93 -18.01 62.66 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.707 -179.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.851 ' HB2' ' CD1' ' A' ' 33' ' ' TYR . . . -66.2 134.48 52.8 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.645 -0.422 . . . . 0.0 111.33 -178.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.601 HG23 HG23 ' A' ' 98' ' ' VAL . 11.6 t -94.37 -32.74 13.45 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.17 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.601 HG23 HG23 ' A' ' 97' ' ' THR . 55.0 t -127.51 128.72 70.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.391 179.257 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.529 HG12 ' HB2' ' A' ' 33' ' ' TYR . 28.6 m -138.16 156.28 30.49 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 CA-C-O 120.869 0.366 . . . . 0.0 110.482 178.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.453 HG22 ' HB ' ' A' ' 126' ' ' VAL . 57.9 p -132.91 159.25 40.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.777 179.336 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.774 ' SD ' HD12 ' A' ' 35' ' ' LEU . 26.0 mmt -128.29 137.81 52.13 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.941 0.401 . . . . 0.0 110.768 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 93.4 t80 -153.38 84.2 1.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.352 179.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 89.2 mt -124.79 148.64 48.03 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.652 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -62.67 155.17 27.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.159 179.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 12.3 t -41.28 133.54 2.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.609 -179.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -159.91 166.8 29.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.421 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.695 HG23 ' H ' ' A' ' 108' ' ' ASN . 0.9 OUTLIER -59.71 -89.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.59 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.695 ' H ' HG23 ' A' ' 107' ' ' VAL . 83.1 m-20 51.55 45.14 28.52 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.643 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -59.25 -24.19 63.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.639 -179.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 66.8 mtt -84.03 -15.04 49.06 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 179.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 71.1 mt 56.06 24.31 7.7 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.611 179.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 63.7 mttp 50.51 76.83 0.5 Allowed Pre-proline 0 CA--C 1.532 0.274 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.815 178.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -73.94 -8.79 21.65 Favored 'Trans proline' 0 N--CA 1.493 1.495 0 C-N-CA 122.36 2.04 . . . . 0.0 111.688 -179.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -58.17 -14.11 6.32 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.84 -179.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 96.1 mt -60.17 -36.94 78.72 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -65.24 -22.58 66.89 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.419 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -93.69 -44.22 8.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.431 ' O ' ' CB ' ' A' ' 94' ' ' SER . 79.7 mm-40 -73.95 -51.47 15.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.786 -178.682 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.504 HD13 HG21 ' A' ' 123' ' ' THR . 88.7 mt -84.47 133.75 34.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.505 -179.392 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -76.07 152.66 84.41 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.177 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -52.32 136.35 55.1 Favored 'Trans proline' 0 N--CA 1.493 1.494 0 C-N-CA 121.512 1.475 . . . . 0.0 112.135 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 102.94 -7.93 53.44 Favored Glycine 0 CA--C 1.521 0.45 0 N-CA-C 111.488 -0.645 . . . . 0.0 111.488 179.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . 0.504 HG21 HD13 ' A' ' 119' ' ' LEU . 15.8 m -66.56 144.79 56.23 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 178.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.403 ' CG ' HG22 ' A' ' 98' ' ' VAL . 17.2 mmm180 -97.69 124.51 42.04 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 -179.182 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 62.6 t -121.66 126.69 75.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.845 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.453 ' HB ' HG22 ' A' ' 100' ' ' THR . 57.8 t -120.52 121.95 66.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.422 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 64.8 m -98.15 159.6 14.84 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.669 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . 0.544 ' CG ' ' N ' ' A' ' 129' ' ' GLU . 84.0 t60 -64.98 -104.21 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.384 -179.14 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.544 ' N ' ' CG ' ' A' ' 128' ' ' HIS . 87.8 tt0 -106.68 -25.5 11.73 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -179.286 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -76.76 140.09 40.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.025 0.44 . . . . 0.0 111.406 -179.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -91.74 142.33 27.71 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.225 179.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 65.4 mt -74.56 111.96 11.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.219 -179.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 79.5 ttt-85 -76.94 142.2 40.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.938 179.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 90.17 -22.55 25.7 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.533 ' CZ3' ' CE2' ' A' ' 155' ' ' TYR . 23.2 m0 -102.68 -171.93 2.04 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -138.28 115.43 9.19 Favored Pre-proline 0 CA--C 1.536 0.405 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 178.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -72.69 150.82 51.17 Favored 'Trans proline' 0 N--CA 1.491 1.366 0 C-N-CA 121.466 1.444 . . . . 0.0 112.129 -179.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 17.5 tptp -84.38 -50.21 8.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.859 0.361 . . . . 0.0 110.425 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -135.23 129.68 34.04 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.498 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 64.1 t -128.65 124.11 60.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.356 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.408 HG21 HD13 ' A' ' 141' ' ' ILE . 21.4 pt -141.71 163.5 19.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 C-N-CA 120.481 -0.487 . . . . 0.0 111.395 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt -118.33 151.8 37.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.868 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 57.4 t -125.18 128.68 73.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.365 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . 0.415 ' N ' ' OE1' ' A' ' 144' ' ' GLU . 40.8 mp0 -114.14 121.23 43.14 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.521 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -139.75 98.98 3.59 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 96.84 -119.6 6.41 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -117.03 17.52 14.88 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.705 0.288 . . . . 0.0 110.581 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 74.4 mtm -139.84 157.35 45.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.187 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 51.8 p30 -128.99 165.84 20.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.282 0.563 . . . . 0.0 110.844 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -138.06 151.83 48.22 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.692 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.435 ' O ' ' O ' ' A' ' 128' ' ' HIS . 26.1 m -125.64 141.68 51.9 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.654 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 99.1 t -131.14 135.49 59.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.909 0.385 . . . . 0.0 111.209 -179.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -110.85 131.68 54.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.291 179.113 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 69.1 tp -110.0 136.62 48.98 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . 0.572 ' CG ' ' N ' ' A' ' 156' ' ' VAL . 88.6 t80 -139.25 172.16 13.24 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.291 -179.36 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . 0.572 ' N ' ' CG ' ' A' ' 155' ' ' TYR . 6.8 p -142.95 132.1 21.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.018 179.559 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' ILE . . . . . . . . . . . . . 43.9 mm -74.25 138.88 20.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.535 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 123.46 -40.55 1.95 Allowed Glycine 0 CA--C 1.52 0.395 0 N-CA-C 110.724 -0.95 . . . . 0.0 110.724 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . 0.437 ' O ' ' OH ' ' A' ' 155' ' ' TYR . 99.5 mt-10 -133.92 131.35 38.96 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 179.277 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . 0.511 ' O ' ' C ' ' A' ' 161' ' ' LYS . 33.1 p80 -123.8 -151.6 0.48 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.273 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . 0.511 ' C ' ' O ' ' A' ' 160' ' ' HIS . 22.1 mtpp 15.05 -96.54 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.596 0 O-C-N 123.83 0.706 . . . . 0.0 112.239 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.945 -1.026 . . . . 0.0 110.498 179.78 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.5 mmt . . . . . 0 N--CA 1.489 1.479 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t 71.15 40.95 0.82 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -101.2 8.54 42.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.511 179.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.0 t 52.6 56.93 15.25 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.615 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -70.86 153.15 64.02 Favored 'Trans proline' 0 C--N 1.306 -1.685 0 C-N-CA 122.795 2.33 . . . . 0.0 112.144 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -73.63 135.69 43.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.476 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.9 m -136.77 155.64 76.47 Favored Pre-proline 0 CA--C 1.533 0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.306 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -53.28 141.35 60.18 Favored 'Trans proline' 0 N--CA 1.497 1.73 0 C-N-CA 121.565 1.51 . . . . 0.0 111.856 179.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -88.09 128.32 35.42 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.366 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.5 p -139.28 103.73 7.24 Favored Pre-proline 0 CA--C 1.537 0.454 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.492 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -77.78 -69.46 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.194 0 C-N-CA 121.559 1.506 . . . . 0.0 112.325 -179.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.516 HG21 ' NE2' ' A' ' 150' ' ' HIS . 78.5 p -70.8 152.01 95.16 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.829 -179.64 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.39 167.49 26.16 Favored 'Trans proline' 0 N--CA 1.494 1.556 0 C-N-CA 122.316 2.011 . . . . 0.0 112.367 179.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -59.1 -14.59 10.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.601 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 43.8 tptt -55.52 -31.77 62.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.736 -179.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.0 t -60.38 -45.19 96.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.045 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.1 t -63.17 -38.81 83.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.125 178.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.8 mmm-85 -59.59 -40.19 86.65 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.857 -179.212 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.8 mmt180 -69.37 -39.24 78.17 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 120.535 -0.466 . . . . 0.0 111.928 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.411 ' HG2' HG11 ' A' ' 152' ' ' VAL . 76.5 mtm -65.17 -33.56 76.31 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.931 0.396 . . . . 0.0 110.457 -179.656 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 86.3 mt -69.98 -40.34 75.4 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.87 179.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -63.77 -43.78 95.34 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.0 0.429 . . . . 0.0 111.923 -179.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.529 ' HB ' HD22 ' A' ' 154' ' ' LEU . 38.2 pt -72.41 -30.2 33.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.27 -178.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.489 ' HB1' HG13 ' A' ' 98' ' ' VAL . . . -82.12 29.56 0.41 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.563 -179.539 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt 33.46 54.0 0.46 Allowed 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.95 177.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 64.9 t -86.47 109.05 18.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.148 0.499 . . . . 0.0 110.657 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.541 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 94.3 p -113.69 164.76 13.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.802 179.676 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -59.78 -18.08 40.6 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.909 -179.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -97.72 -0.29 45.71 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.929 -0.309 . . . . 0.0 111.235 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -112.21 148.77 33.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.587 -179.823 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.531 HD11 ' HA ' ' A' ' 96' ' ' ALA . 1.7 pp -98.74 162.12 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.576 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 96.7 t -127.14 122.45 60.05 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.155 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.99 179.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.482 ' CD2' ' HB2' ' A' ' 96' ' ' ALA . 2.2 m-30 -115.42 99.81 7.64 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 178.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.778 ' HB1' HD13 ' A' ' 42' ' ' ILE . . . -94.64 120.0 34.18 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.176 0.512 . . . . 0.0 110.332 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.891 HD12 ' SD ' ' A' ' 101' ' ' MET . 92.0 mt -64.3 -34.9 79.2 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.956 0.724 . . . . 0.0 112.956 -178.261 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -134.68 85.85 0.26 Allowed Glycine 0 N--CA 1.47 0.944 0 C-N-CA 120.363 -0.922 . . . . 0.0 112.401 -179.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.503 ' SG ' ' N ' ' A' ' 38' ' ' GLY . 21.4 p -70.22 -57.66 4.65 Favored 'General case' 0 C--O 1.232 0.162 0 O-C-N 122.694 -0.297 . . . . 0.0 111.094 179.404 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.503 ' N ' ' SG ' ' A' ' 37' ' ' CYS . . . 81.18 5.03 90.37 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.032 179.37 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 0.6 OUTLIER 167.1 -10.56 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 117.04 0.42 . . . . 0.0 111.369 179.615 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.418 ' H ' ' HB2' ' A' ' 37' ' ' CYS . . . 91.72 -7.03 79.88 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.788 -0.525 . . . . 0.0 111.788 179.223 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.8 mmt85 -60.36 -16.6 36.77 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 117.394 0.597 . . . . 0.0 111.087 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.778 HD13 ' HB1' ' A' ' 34' ' ' ALA . 13.7 tt -78.59 -41.89 25.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.707 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.618 HG23 HG23 ' A' ' 42' ' ' ILE . 37.2 pt -92.48 -29.91 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.722 -179.051 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.436 ' CD1' ' CG ' ' A' ' 71' ' ' ASN . 73.2 mt -61.77 -42.81 95.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.572 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 87.9 m -66.87 -22.11 65.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.229 0.538 . . . . 0.0 109.632 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.73 ' HB1' HG11 ' A' ' 52' ' ' VAL . . . -74.37 -67.05 0.66 Allowed 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.849 178.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.91 -37.86 80.66 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.467 -179.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -63.58 -45.28 91.16 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.08 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -107.16 -53.77 2.57 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 -178.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.58 ' N ' ' O ' ' A' ' 46' ' ' ALA . 53.6 m-85 -71.52 -6.53 41.28 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -178.64 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 57.9 t30 50.74 32.94 7.61 Favored 'General case' 0 C--N 1.332 -0.174 0 O-C-N 122.012 -0.43 . . . . 0.0 111.747 178.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.73 HG11 ' HB1' ' A' ' 46' ' ' ALA . 2.9 m -53.72 128.93 14.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.304 0.573 . . . . 0.0 111.235 -179.046 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -48.06 -46.72 33.78 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.397 -178.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.4 ttpt -141.54 132.01 25.31 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.02 179.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.713 ' HB3' ' O ' ' A' ' 80' ' ' ARG . . . -129.53 129.13 44.1 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.992 0.425 . . . . 0.0 110.494 -179.621 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 68.4 t -136.41 137.22 48.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.248 -179.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -119.48 129.44 8.04 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 109.814 -1.315 . . . . 0.0 109.814 178.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.452 ' O ' ' O ' ' A' ' 35' ' ' LEU . 61.0 t -95.76 129.15 46.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 120.29 -0.564 . . . . 0.0 109.636 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.459 ' OE1' ' SG ' ' A' ' 37' ' ' CYS . 88.0 tt0 -168.79 144.81 3.52 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.403 -0.519 . . . . 0.0 111.127 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.673 ' O ' HG23 ' A' ' 60' ' ' ILE . 19.8 tt -132.48 113.96 22.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 178.631 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -150.52 -175.65 5.18 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 -179.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.553 ' O ' HG22 ' A' ' 65' ' ' ILE . 20.7 p-10 -112.36 -69.35 0.87 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.045 179.697 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.486 ' H ' ' CG ' ' A' ' 62' ' ' ASP . 98.8 mt-10 -71.42 -39.58 70.99 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.957 0.408 . . . . 0.0 111.38 179.738 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -77.6 -10.28 59.41 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.875 -178.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.553 HG22 ' O ' ' A' ' 62' ' ' ASP . 12.2 tt -64.75 -36.81 78.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 C-N-CA 120.152 -0.619 . . . . 0.0 111.255 -178.509 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.424 ' N ' ' CG2' ' A' ' 65' ' ' ILE . 8.0 ptm180 -83.54 -27.13 29.54 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.087 -179.354 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -61.16 -48.39 81.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.39 -39.56 91.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.614 0.245 . . . . 0.0 111.507 -179.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.553 HD23 HD11 ' A' ' 83' ' ' ILE . 25.1 mt -62.33 -41.27 98.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.113 0.482 . . . . 0.0 109.891 179.565 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.52 -38.85 92.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.927 -179.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.436 ' CG ' ' CD1' ' A' ' 44' ' ' ILE . 56.4 t-20 -59.36 -44.12 92.75 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.959 -178.179 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.532 HG23 HG23 ' A' ' 77' ' ' VAL . 81.7 mt -57.46 -46.05 85.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.909 -178.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.53 -40.83 98.02 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.079 -0.649 . . . . 0.0 109.59 179.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -57.1 -39.45 75.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.1 -179.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.433 ' OD1' ' OD1' ' A' ' 71' ' ' ASN . 31.2 m120 -92.73 4.08 54.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.337 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 48.34 41.2 23.87 Favored Glycine 0 CA--C 1.524 0.626 0 C-N-CA 120.936 -0.65 . . . . 0.0 111.885 177.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.532 HG23 HG23 ' A' ' 72' ' ' ILE . 5.0 m -108.72 16.01 7.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.404 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 p -45.29 163.84 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 121.218 0.533 . . . . 0.0 110.767 179.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 76.68 -38.1 1.46 Allowed Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.405 178.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.713 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 42.2 mtt85 -94.92 -24.67 16.88 Favored 'General case' 0 CA--C 1.516 -0.353 0 C-N-CA 120.416 -0.514 . . . . 0.0 109.808 -179.688 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -121.67 131.95 54.38 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.538 -179.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 89.7 p -147.73 165.86 29.24 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.988 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.553 HD11 HD23 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -129.8 139.02 52.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.554 179.67 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 95.3 t -123.68 128.24 74.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.353 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 9.7 ptmm? -103.4 156.28 17.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.01 179.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 137.55 -158.39 24.49 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -97.21 130.92 44.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.173 0.511 . . . . 0.0 111.17 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -54.9 -34.02 62.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.517 -179.132 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -60.27 -48.97 79.46 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.302 0.572 . . . . 0.0 109.617 178.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -64.75 -39.62 93.93 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.407 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 84.0 t -70.15 129.05 34.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.064 0.459 . . . . 0.0 111.114 -179.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -104.77 131.97 51.57 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.477 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 38.4 pt -117.44 16.53 7.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.188 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.462 ' CB ' ' O ' ' A' ' 118' ' ' GLU . 88.1 p -61.3 -27.27 68.36 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.578 -0.449 . . . . 0.0 111.478 -179.35 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -73.2 -20.22 60.92 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.796 0.331 . . . . 0.0 111.468 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.531 ' HA ' HD11 ' A' ' 31' ' ' ILE . . . -74.71 142.64 44.4 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 -178.401 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.614 HG23 HG23 ' A' ' 98' ' ' VAL . 14.6 t -100.07 -27.16 13.69 Favored 'General case' 0 CA--C 1.528 0.097 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.172 178.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.614 HG23 HG23 ' A' ' 97' ' ' THR . 68.1 t -131.58 131.34 62.61 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.95 179.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 75.2 t -132.77 141.66 44.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.694 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 82.5 p -132.38 156.03 47.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.905 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.891 ' SD ' HD12 ' A' ' 35' ' ' LEU . 94.2 mmm -119.75 139.25 52.58 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.738 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -153.87 82.79 1.15 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.884 178.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.445 ' CD2' ' OG1' ' A' ' 105' ' ' THR . 59.4 tp -144.45 136.92 26.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.208 -179.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 59.9 tp -60.3 -42.59 95.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.135 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.445 ' OG1' ' CD2' ' A' ' 103' ' ' LEU . 73.0 p -72.7 164.29 26.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.024 0.44 . . . . 0.0 110.769 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 48.7 p30 -82.19 -171.36 3.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.06 -179.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 33.3 m -119.47 164.25 15.99 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.122 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -56.94 129.68 42.65 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.033 0.444 . . . . 0.0 111.042 -179.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.49 -37.97 88.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.187 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 15.7 mmt -89.09 -71.34 0.6 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.671 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 7.6 mp -50.0 120.01 4.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.441 -179.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.56 ' N ' ' CD ' ' A' ' 113' ' ' PRO . 1.4 mmtm 176.19 -43.84 0.0 OUTLIER Pre-proline 0 CA--C 1.533 0.297 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.511 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 112' ' ' LYS . 47.5 Cg_exo -57.4 -19.93 37.9 Favored 'Trans proline' 0 N--CA 1.497 1.69 0 C-N-CA 122.692 2.261 . . . . 0.0 111.876 179.644 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -59.31 -19.21 44.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.76 -179.203 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 96.5 mt -60.66 -36.17 78.04 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.043 0.449 . . . . 0.0 110.112 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -65.45 -22.07 66.72 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.276 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.513 ' N ' ' CD ' ' A' ' 117' ' ' LYS . 0.8 OUTLIER -93.87 -43.97 8.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.495 179.882 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.462 ' O ' ' CB ' ' A' ' 94' ' ' SER . 79.4 mm-40 -74.73 -52.93 10.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.591 -178.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.409 HD13 HG21 ' A' ' 123' ' ' THR . 86.7 mt -83.43 137.34 33.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.005 0.431 . . . . 0.0 110.605 -179.467 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 13.5 ptmm? -75.73 156.59 84.66 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.598 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -58.55 137.91 82.88 Favored 'Trans proline' 0 N--CA 1.494 1.55 0 C-N-CA 121.291 1.327 . . . . 0.0 111.427 178.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . 0.404 ' O ' ' NH2' ' A' ' 124' ' ' ARG . . . 98.1 -1.8 59.42 Favored Glycine 0 CA--C 1.522 0.492 0 C-N-CA 120.77 -0.729 . . . . 0.0 111.463 179.592 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . 0.409 HG21 HD13 ' A' ' 119' ' ' LEU . 1.9 m -74.93 147.67 40.73 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.167 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.466 ' CG ' HG22 ' A' ' 98' ' ' VAL . 7.7 mmt-85 -99.75 127.17 45.9 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.987 -179.081 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 58.9 t -123.18 128.05 74.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.528 179.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 60.3 t -122.36 124.08 70.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.128 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.433 ' O ' ' O ' ' A' ' 128' ' ' HIS . 41.9 t -97.51 137.74 35.99 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.629 -179.73 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . 0.469 ' ND1' ' N ' ' A' ' 128' ' ' HIS . 0.0 OUTLIER -47.09 -99.67 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.052 -179.58 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -113.3 -23.2 10.04 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.591 0.234 . . . . 0.0 111.466 -179.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -81.83 126.55 31.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.926 0.393 . . . . 0.0 110.931 -179.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -82.59 138.6 34.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.659 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 66.7 mt -69.14 118.16 12.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 C-N-CA 120.648 -0.421 . . . . 0.0 109.907 -179.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -78.81 140.65 38.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.791 179.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 89.53 -14.54 61.03 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.509 ' CZ3' ' CE2' ' A' ' 155' ' ' TYR . 10.4 m0 -111.15 155.2 23.23 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.134 0.492 . . . . 0.0 111.677 -179.314 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -105.85 113.54 63.72 Favored Pre-proline 0 CA--C 1.539 0.545 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.108 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -72.8 150.65 50.24 Favored 'Trans proline' 0 N--CA 1.495 1.58 0 C-N-CA 121.787 1.658 . . . . 0.0 112.221 -179.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -87.63 -50.39 6.53 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.917 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 54.9 tt0 -130.44 123.44 29.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.413 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 60.1 t -127.69 127.54 68.55 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.725 -179.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 24.1 pt -140.17 163.03 24.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 121.13 0.49 . . . . 0.0 111.619 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.441 ' CG ' ' OG1' ' A' ' 151' ' ' THR . 5.0 mtmm -122.79 149.45 44.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.312 179.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 61.3 t -124.08 127.57 73.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.121 -0.945 . . . . 0.0 108.911 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -107.47 118.61 37.17 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.565 ' C ' ' H ' ' A' ' 147' ' ' ASN . 67.4 m-20 -110.3 154.39 23.54 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 121.598 0.713 . . . . 0.0 111.077 -179.528 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -46.34 2.78 0.01 OUTLIER Glycine 0 CA--C 1.527 0.821 0 CA-C-N 114.071 -1.422 . . . . 0.0 114.444 -178.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . 0.565 ' H ' ' C ' ' A' ' 145' ' ' ASP . 98.6 m-20 -137.2 -49.1 0.61 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 117.905 0.853 . . . . 0.0 110.652 178.324 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 64.6 mtt -145.8 165.54 28.55 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.829 -178.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 17.1 p30 -108.71 159.42 16.76 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 121.25 0.548 . . . . 0.0 110.903 179.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . 0.516 ' NE2' HG21 ' A' ' 12' ' ' THR . 84.2 m-70 -140.75 149.44 42.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.225 -179.534 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.441 ' OG1' ' CG ' ' A' ' 142' ' ' LYS . 75.4 m -123.97 139.39 54.0 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.155 -0.684 . . . . 0.0 109.155 179.372 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.411 HG11 ' HG2' ' A' ' 20' ' ' MET . 59.8 t -131.16 133.71 62.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.781 0.324 . . . . 0.0 110.471 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -106.39 132.28 52.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.916 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.529 HD22 ' HB ' ' A' ' 23' ' ' ILE . 64.3 tp -113.36 130.56 56.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.224 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . 0.509 ' CE2' ' CZ3' ' A' ' 135' ' ' TRP . 84.6 t80 -142.94 131.92 22.96 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.001 0.429 . . . . 0.0 111.684 -179.134 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 99.2 t -99.69 133.16 43.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.581 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' ILE . . . . . . . . . . . . . 46.0 mm -70.0 132.28 33.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.442 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 140.61 -35.86 1.83 Allowed Glycine 0 CA--C 1.527 0.784 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . 0.456 ' O ' ' OH ' ' A' ' 155' ' ' TYR . 99.3 mt-10 -139.94 115.71 10.19 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.051 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . 0.411 ' CD2' ' N ' ' A' ' 161' ' ' LYS . 55.1 p-80 -105.82 -144.7 0.38 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.489 -179.215 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . 0.411 ' N ' ' CD2' ' A' ' 160' ' ' HIS . 32.9 ttmt -36.64 -52.61 0.89 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.039 -178.378 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.052 -0.975 . . . . 0.0 110.668 -179.97 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.5 mtt . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.484 ' OG ' HG22 ' A' ' 4' ' ' VAL . 46.8 t -151.42 152.2 32.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.702 -179.73 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -96.4 8.5 43.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.399 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.484 HG22 ' OG ' ' A' ' 2' ' ' SER . 27.6 m -69.77 155.42 93.52 Favored Pre-proline 0 CA--C 1.535 0.385 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.005 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -51.23 146.06 24.86 Favored 'Trans proline' 0 N--CA 1.497 1.727 0 C-N-CA 121.696 1.597 . . . . 0.0 111.796 179.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 68.9 t60 -162.71 123.22 2.41 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.036 -0.728 . . . . 0.0 109.036 179.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 19.0 t -133.31 77.12 67.03 Favored Pre-proline 0 N--CA 1.464 0.248 0 C-N-CA 120.951 -0.299 . . . . 0.0 111.487 -178.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -82.11 164.4 17.45 Favored 'Trans proline' 0 C--N 1.304 -1.793 0 C-N-CA 123.23 2.62 . . . . 0.0 111.798 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -59.05 137.28 58.01 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.152 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.4 m -134.93 144.31 49.87 Favored Pre-proline 0 C--N 1.327 -0.381 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 178.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -73.32 160.06 45.66 Favored 'Trans proline' 0 N--CA 1.492 1.399 0 C-N-CA 122.12 1.88 . . . . 0.0 111.428 179.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 27.2 m -61.15 132.67 92.5 Favored Pre-proline 0 CA--C 1.538 0.487 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 -179.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -47.33 163.77 0.15 Allowed 'Trans proline' 0 N--CA 1.496 1.621 0 C-N-CA 121.739 1.626 . . . . 0.0 112.763 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -62.15 -12.41 19.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.631 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -52.95 -26.42 15.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.45 -178.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 73.3 t -60.6 -46.42 95.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 120.366 -0.534 . . . . 0.0 109.73 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 54.1 t -64.03 -38.75 83.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.749 179.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.548 HH22 ' CG ' ' A' ' 49' ' ' ASP . 25.3 mmt180 -59.17 -41.32 88.12 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.009 -178.61 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -65.79 -37.05 85.24 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.526 -0.47 . . . . 0.0 111.095 179.181 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.458 ' CE ' ' OG1' ' A' ' 100' ' ' THR . 95.1 mtp -61.84 -33.97 75.13 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.052 -179.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.673 ' O ' HG12 ' A' ' 26' ' ' VAL . 7.8 mp -76.8 -40.56 47.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.849 179.242 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -62.3 -45.1 94.74 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -179.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.0 pt -67.11 -36.94 78.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.665 -179.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.09 -9.61 58.34 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 40.2 mmtm 58.85 34.25 23.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.291 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.673 HG12 ' O ' ' A' ' 21' ' ' LEU . 2.3 p -58.98 123.53 11.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.218 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.434 ' H ' ' HB2' ' A' ' 30' ' ' ASP . 91.9 p -109.8 166.36 10.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.021 179.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -59.14 -20.11 50.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.855 0.36 . . . . 0.0 110.623 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -97.28 1.05 49.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.194 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.434 ' HB2' ' H ' ' A' ' 27' ' ' SER . 97.0 m-20 -104.8 135.98 45.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.746 0.308 . . . . 0.0 111.233 -179.376 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.665 HD13 ' CE2' ' A' ' 33' ' ' TYR . 1.1 pp -85.37 154.44 3.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.419 179.363 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.523 ' N ' HD12 ' A' ' 31' ' ' ILE . 88.9 t -124.72 117.5 50.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.241 179.512 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.665 ' CE2' HD13 ' A' ' 31' ' ' ILE . 10.9 m-30 -114.33 120.83 41.72 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 176.475 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -140.51 149.06 42.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.936 0.398 . . . . 0.0 111.085 -179.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.419 HD12 ' H ' ' A' ' 35' ' ' LEU . 0.9 OUTLIER -109.47 7.74 24.96 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.574 179.793 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.459 ' O ' ' O ' ' A' ' 37' ' ' CYS . . . -94.37 11.24 70.59 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.344 -0.702 . . . . 0.0 111.344 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.585 ' SG ' ' N ' ' A' ' 40' ' ' GLY . 25.4 t -47.77 -103.07 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 121.2 -0.2 . . . . 0.0 111.163 -179.401 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.574 ' N ' ' SG ' ' A' ' 37' ' ' CYS . . . 74.67 10.02 82.84 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.391 -1.084 . . . . 0.0 110.391 -179.552 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 178.25 -21.06 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.805 0.336 . . . . 0.0 110.489 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.585 ' N ' ' SG ' ' A' ' 37' ' ' CYS . . . 89.36 -5.75 83.83 Favored Glycine 0 C--O 1.219 -0.839 0 N-CA-C 111.427 -0.669 . . . . 0.0 111.427 179.593 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -57.67 -35.56 70.73 Favored 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 120.313 -0.555 . . . . 0.0 110.039 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.621 HG23 HG23 ' A' ' 43' ' ' ILE . 17.0 tt -62.02 -44.42 98.93 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.651 -179.101 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.621 HG23 HG23 ' A' ' 42' ' ' ILE . 33.7 pt -89.29 -30.31 5.21 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -179.145 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 71.5 mt -62.03 -41.09 89.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 76.4 m -65.38 -22.41 66.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.056 0.455 . . . . 0.0 110.652 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.555 ' HB1' HG11 ' A' ' 52' ' ' VAL . . . -77.96 -64.03 1.25 Allowed 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.668 179.246 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.453 ' HA ' HG22 ' A' ' 52' ' ' VAL . . . -59.41 -38.92 81.85 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.304 -179.068 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -62.9 -47.19 84.37 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.751 -0.379 . . . . 0.0 111.238 -179.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.548 ' CG ' HH22 ' A' ' 18' ' ' ARG . 30.6 t70 -104.27 -54.02 2.62 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -178.549 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.64 ' CD2' HG13 ' A' ' 26' ' ' VAL . 46.3 m-85 -71.11 -6.66 40.91 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -178.315 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 58.6 t30 49.71 34.67 7.67 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.683 178.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.657 HG21 ' HB2' ' A' ' 55' ' ' ALA . 18.5 m -44.54 167.35 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.498 -179.441 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -80.14 -50.46 10.27 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.58 179.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.6 tttp -144.76 122.41 11.81 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.116 -0.947 . . . . 0.0 109.442 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.657 ' HB2' HG21 ' A' ' 52' ' ' VAL . . . -115.79 125.05 52.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.008 0.432 . . . . 0.0 110.156 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 68.5 t -131.31 133.84 61.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.902 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -112.52 130.83 9.78 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 110.173 -1.171 . . . . 0.0 110.173 179.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 96.3 t -101.32 122.19 53.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 179.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -171.24 147.88 2.57 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.729 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.661 ' O ' HG23 ' A' ' 60' ' ' ILE . 20.2 tt -132.64 115.37 24.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 178.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.442 ' OD1' ' O ' ' A' ' 60' ' ' ILE . 99.0 m-20 -144.16 176.04 9.62 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -179.706 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.557 ' O ' HG22 ' A' ' 65' ' ' ILE . 24.2 t70 -107.21 -73.04 0.7 Allowed 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.046 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.447 ' O ' ' OE1' ' A' ' 67' ' ' GLU . 99.0 mt-10 -70.06 -39.0 75.94 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.819 -179.392 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 85.4 mtp180 -79.04 -7.15 57.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.737 -178.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.557 HG22 ' O ' ' A' ' 62' ' ' ASP . 15.0 tt -60.44 -39.02 79.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 C-N-CA 120.486 -0.485 . . . . 0.0 111.358 -178.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.463 ' N ' ' CG2' ' A' ' 65' ' ' ILE . 36.7 ptt180 -78.74 -25.55 44.57 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.399 -179.207 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.447 ' OE1' ' O ' ' A' ' 63' ' ' GLU . 4.4 mp0 -62.06 -51.4 68.1 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.533 -0.467 . . . . 0.0 111.201 -179.527 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.79 -41.71 91.8 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -178.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.448 HD23 HD11 ' A' ' 83' ' ' ILE . 27.6 mt -60.9 -40.76 94.33 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.32 -0.552 . . . . 0.0 110.069 179.389 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.06 -38.84 92.79 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.956 -179.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -60.11 -43.9 95.27 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.12 -0.632 . . . . 0.0 111.129 -178.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.8 mp -54.89 -46.21 75.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 C-N-CA 120.524 -0.47 . . . . 0.0 110.932 -178.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -63.87 -40.3 96.22 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.279 -0.568 . . . . 0.0 110.005 179.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -56.95 -39.87 75.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.395 -179.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -92.68 3.0 56.41 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.88 -0.328 . . . . 0.0 111.215 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 49.18 43.34 33.06 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 120.996 -0.621 . . . . 0.0 111.926 177.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 4.5 m -109.46 16.86 7.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 120.979 -0.288 . . . . 0.0 111.249 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.0 p -47.33 161.68 0.08 Allowed 'General case' 0 CA--C 1.513 -0.452 0 CA-C-O 121.366 0.603 . . . . 0.0 111.268 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 79.43 -33.49 2.05 Favored Glycine 0 N--CA 1.446 -0.647 0 CA-C-N 114.964 -1.016 . . . . 0.0 111.025 179.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.56 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 41.6 mtt85 -100.38 -24.68 14.45 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.35 -179.498 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -120.59 132.27 55.06 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.754 -179.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.9 t -146.65 163.03 37.17 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.278 -179.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.448 HD11 HD23 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -128.85 139.04 52.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.193 179.203 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 84.9 t -125.31 128.89 73.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.833 -179.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -96.9 153.2 18.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.081 179.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 132.23 -161.1 23.85 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.494 -1.043 . . . . 0.0 110.494 -179.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -98.38 126.32 43.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.982 0.42 . . . . 0.0 110.679 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 39.1 p90 -51.23 -26.7 7.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.679 -179.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -60.71 -48.51 81.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.279 0.562 . . . . 0.0 109.754 179.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.12 -38.61 91.87 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.605 179.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 83.0 t -69.98 130.37 34.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.741 -179.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -96.09 131.34 42.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.062 179.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 44.8 pt -122.97 14.3 5.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.328 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.427 ' OG ' ' OE1' ' A' ' 118' ' ' GLU . 71.1 m -57.14 -38.06 72.94 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.601 0.239 . . . . 0.0 111.097 -179.087 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.532 ' OE2' ' CZ ' ' A' ' 33' ' ' TYR . 2.5 pp20? -72.31 -15.51 61.89 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.799 -0.36 . . . . 0.0 111.278 -179.643 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.651 ' HB2' ' CD1' ' A' ' 33' ' ' TYR . . . -65.48 130.16 42.34 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.766 -178.622 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.846 HG23 HG23 ' A' ' 98' ' ' VAL . 8.3 t -94.88 -28.65 15.1 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.488 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.846 HG23 HG23 ' A' ' 97' ' ' THR . 72.1 t -130.27 125.18 59.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.151 179.588 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.412 HG12 ' HB2' ' A' ' 33' ' ' TYR . 27.0 m -139.77 156.75 26.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 121.027 0.441 . . . . 0.0 111.301 179.113 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.458 ' OG1' ' CE ' ' A' ' 20' ' ' MET . 8.7 t -138.91 152.13 47.5 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.554 178.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 98.9 mtp -117.54 138.9 51.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.039 0.447 . . . . 0.0 111.31 -178.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -147.72 85.88 1.57 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.264 179.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 88.6 mt -124.07 139.52 53.86 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.455 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 105' ' ' THR . 86.5 mt -117.55 129.81 56.02 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.695 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 104' ' ' LEU . 2.0 m 34.03 55.29 0.59 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.488 179.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -126.1 151.54 47.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.678 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.56 HG12 ' H ' ' A' ' 109' ' ' GLU . 83.8 t -86.02 124.6 40.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.334 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.482 ' C ' ' H ' ' A' ' 110' ' ' MET . 98.5 m-20 -97.5 5.05 50.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.948 -179.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.56 ' H ' HG12 ' A' ' 107' ' ' VAL . 52.4 mm-40 55.88 3.07 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.301 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.482 ' H ' ' C ' ' A' ' 108' ' ' ASN . 98.5 mtp 56.84 93.18 0.03 OUTLIER 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 -179.506 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -164.14 41.12 0.09 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.022 179.602 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.616 ' N ' ' CD ' ' A' ' 113' ' ' PRO . 49.6 mttp -72.22 -34.73 2.95 Favored Pre-proline 0 CA--C 1.536 0.434 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.05 -179.674 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 112' ' ' LYS . 53.1 Cg_exo -56.01 -20.96 32.21 Favored 'Trans proline' 0 N--CA 1.498 1.785 0 C-N-CA 122.487 2.125 . . . . 0.0 113.026 -178.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -57.85 -27.5 63.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.349 0.595 . . . . 0.0 110.133 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.42 -36.77 78.95 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.27 -179.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -63.49 -23.23 67.31 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.029 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 39.7 mmtm -98.18 -34.67 10.65 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.854 -0.338 . . . . 0.0 111.375 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.427 ' OE1' ' OG ' ' A' ' 94' ' ' SER . 73.3 mm-40 -82.83 -51.3 7.78 Favored 'General case' 0 C--N 1.333 -0.139 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.249 -179.345 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.805 HD23 HG21 ' A' ' 123' ' ' THR . 8.3 mp -82.83 130.84 35.19 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 179.661 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -71.5 150.9 93.88 Favored Pre-proline 0 C--N 1.328 -0.341 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.763 -179.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_exo -53.26 139.79 63.02 Favored 'Trans proline' 0 N--CA 1.497 1.735 0 C-N-CA 121.813 1.675 . . . . 0.0 112.037 179.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . 0.457 ' O ' ' NH2' ' A' ' 124' ' ' ARG . . . 100.31 -7.83 58.54 Favored Glycine 0 C--O 1.228 -0.23 0 N-CA-C 110.734 -0.946 . . . . 0.0 110.734 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . 0.805 HG21 HD23 ' A' ' 119' ' ' LEU . 3.7 m -69.94 147.83 49.72 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 178.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.539 ' N ' ' CD ' ' A' ' 124' ' ' ARG . 0.0 OUTLIER -103.88 128.17 51.38 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.693 -179.271 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 57.6 t -122.75 128.75 75.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.734 178.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 58.3 t -119.2 123.43 71.33 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.473 -178.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 67.4 m -97.64 153.69 18.04 Favored 'General case' 0 C--N 1.333 -0.12 0 C-N-CA 120.559 -0.457 . . . . 0.0 110.127 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . 0.489 ' CG ' ' N ' ' A' ' 129' ' ' GLU . 21.0 t-160 -60.53 -102.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.694 -179.065 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.489 ' N ' ' CG ' ' A' ' 128' ' ' HIS . 52.6 tp10 -106.58 -28.23 10.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.011 -179.236 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -80.9 138.64 36.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.974 0.416 . . . . 0.0 111.164 -179.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -87.06 164.28 16.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.188 179.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.653 HD12 ' CE1' ' A' ' 155' ' ' TYR . 78.8 mt -96.46 117.79 41.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.569 -179.673 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -73.46 141.34 46.86 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 178.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 89.79 -22.83 22.99 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.404 -0.678 . . . . 0.0 111.404 179.35 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 13.1 m0 -105.73 150.9 25.08 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 120.918 0.39 . . . . 0.0 110.706 -179.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 47.7 t-20 -105.75 105.71 53.95 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.623 178.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -55.75 147.5 60.63 Favored 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 121.771 1.648 . . . . 0.0 112.049 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -83.69 -49.0 9.57 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.36 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -138.11 127.1 24.08 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.769 -179.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 60.2 t -129.07 126.88 65.15 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.147 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.74 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.401 HG21 HD13 ' A' ' 141' ' ' ILE . 22.1 pt -140.15 163.06 24.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.005 0.431 . . . . 0.0 111.058 179.497 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -119.47 152.56 36.69 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.82 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 60.0 t -124.45 128.55 73.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-N 114.931 -1.032 . . . . 0.0 109.209 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . 0.41 ' N ' ' OE1' ' A' ' 144' ' ' GLU . 41.9 mp0 -113.87 119.64 37.99 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -139.6 99.69 3.78 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.623 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 96.64 -119.43 6.33 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -115.99 17.09 16.03 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.627 0.251 . . . . 0.0 110.621 179.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 73.8 mtm -141.22 158.29 44.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.579 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 50.6 p30 -128.33 164.99 21.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.223 0.535 . . . . 0.0 110.789 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -138.34 150.61 46.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.917 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 25.7 m -125.37 141.27 52.16 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 97.5 t -129.78 131.63 66.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.404 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -105.89 133.02 51.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.53 -179.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 69.3 tp -114.84 128.09 56.09 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.214 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . 0.653 ' CE1' HD12 ' A' ' 132' ' ' ILE . 85.0 m-85 -122.33 166.6 14.42 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 3.2 p -136.28 128.22 44.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.384 178.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' ILE . . . . . . . . . . . . . 41.4 mm -73.53 138.6 20.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.026 -179.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 127.03 -35.63 2.81 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 110.369 -1.092 . . . . 0.0 110.369 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -143.55 130.1 20.12 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 179.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . 0.57 ' ND1' ' N ' ' A' ' 161' ' ' LYS . 32.2 p80 -122.0 -140.83 0.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.232 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . 0.57 ' N ' ' ND1' ' A' ' 160' ' ' HIS . 9.6 mmmt 17.78 -87.95 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.484 0 O-C-N 123.882 0.739 . . . . 0.0 112.463 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 160' ' ' HIS . . . . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.633 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.4 ttm . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.7 m -65.26 142.49 58.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.512 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -138.53 119.56 14.44 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 23.0 t -131.1 81.29 66.89 Favored Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.238 -179.136 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -79.66 -12.65 13.62 Favored 'Trans proline' 0 N--CA 1.491 1.372 0 C-N-CA 122.527 2.152 . . . . 0.0 112.088 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -104.78 172.93 6.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.656 -179.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.7 t 64.71 61.29 1.36 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.854 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.43 165.03 33.07 Favored 'Trans proline' 0 C--N 1.308 -1.6 0 C-N-CA 122.991 2.461 . . . . 0.0 111.888 179.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -49.77 127.85 16.88 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-O 121.139 0.495 . . . . 0.0 110.112 -179.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.2 p -140.48 137.36 17.52 Favored Pre-proline 0 C--N 1.319 -0.721 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.31 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -73.95 163.12 37.68 Favored 'Trans proline' 0 N--CA 1.492 1.424 0 C-N-CA 122.052 1.834 . . . . 0.0 111.803 179.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.1 p -65.43 157.63 77.14 Favored Pre-proline 0 CA--C 1.535 0.384 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.236 -179.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_exo -57.39 148.02 74.14 Favored 'Trans proline' 0 N--CA 1.498 1.784 0 C-N-CA 121.698 1.599 . . . . 0.0 112.105 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -60.16 -17.65 42.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.035 0.445 . . . . 0.0 109.936 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -60.51 -40.78 92.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.909 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.7 t -60.85 -46.95 95.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.98 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 53.5 t -64.17 -39.44 85.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.561 179.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.3 mmm-85 -57.81 -48.94 78.28 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.145 -0.479 . . . . 0.0 112.018 -178.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 18.2 tpp85 -62.97 -37.04 85.52 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.727 -0.389 . . . . 0.0 111.374 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 89.4 mtp -57.41 -32.7 67.12 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -179.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.633 ' O ' HG12 ' A' ' 26' ' ' VAL . 8.3 mp -77.24 -36.36 54.61 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.9 178.071 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -61.36 -47.07 87.52 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 120.442 -0.503 . . . . 0.0 111.64 -179.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 32.0 pt -67.63 -36.16 75.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.256 -178.378 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.472 ' HB1' HG13 ' A' ' 98' ' ' VAL . . . -71.51 -10.95 60.56 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 179.634 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 40.0 mmtm 59.48 35.37 22.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.931 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.646 HG13 ' CD2' ' A' ' 50' ' ' PHE . 1.9 p -59.44 120.58 5.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.273 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.471 ' H ' ' HB2' ' A' ' 30' ' ' ASP . 68.3 m -109.62 165.59 11.56 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.724 179.695 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.2 pt20 -58.38 -23.3 56.61 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 121.003 -0.279 . . . . 0.0 110.917 -179.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 57.3 p30 -96.5 6.73 48.13 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.068 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.471 ' HB2' ' H ' ' A' ' 27' ' ' SER . 96.8 m-20 -110.25 137.03 48.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.777 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.541 HD11 ' HA ' ' A' ' 96' ' ' ALA . 1.1 pp -87.94 155.48 3.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.302 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.492 ' N ' HD12 ' A' ' 31' ' ' ILE . 97.0 t -123.82 119.61 57.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.292 179.42 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.469 ' CD1' HD13 ' A' ' 31' ' ' ILE . 2.4 m-30 -114.09 99.14 7.42 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 178.09 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.722 ' HB1' HD13 ' A' ' 42' ' ' ILE . . . -103.73 129.86 51.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.87 -179.214 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 88.9 mt -89.67 -9.56 49.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.918 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -115.43 69.72 0.26 Allowed Glycine 0 CA--C 1.528 0.87 0 C-N-CA 121.154 -0.546 . . . . 0.0 112.829 -178.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.471 ' SG ' ' OE1' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -87.48 -88.07 0.14 Allowed 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 178.565 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.518 ' N ' ' OE1' ' A' ' 59' ' ' GLU . . . 75.73 11.23 84.68 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 179.346 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.3 p30 177.93 -18.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.586 0.231 . . . . 0.0 111.169 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.6 -2.84 87.38 Favored Glycine 0 C--O 1.221 -0.709 0 N-CA-C 110.404 -1.078 . . . . 0.0 110.404 -179.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -60.27 -39.29 86.3 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.286 0.565 . . . . 0.0 110.315 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.722 HD13 ' HB1' ' A' ' 34' ' ' ALA . 17.2 tt -58.72 -43.15 87.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.202 -178.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.585 HG23 HG23 ' A' ' 42' ' ' ILE . 45.0 pt -89.46 -30.57 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -179.166 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.588 HD13 ' ND2' ' A' ' 75' ' ' ASN . 49.9 mt -60.96 -41.09 87.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 96.8 m -65.42 -22.52 66.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.072 0.463 . . . . 0.0 110.378 179.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.687 ' HB1' HG11 ' A' ' 52' ' ' VAL . . . -77.74 -64.93 1.04 Allowed 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 120.141 -0.623 . . . . 0.0 109.804 179.127 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.666 ' HB1' ' HD3' ' A' ' 80' ' ' ARG . . . -59.7 -38.87 82.8 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.239 -179.217 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -63.71 -46.21 86.48 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 121.003 -0.279 . . . . 0.0 111.407 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -104.86 -53.21 2.72 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -178.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.646 ' CD2' HG13 ' A' ' 26' ' ' VAL . 45.2 m-85 -72.92 -6.12 43.1 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -178.495 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 57.4 t30 49.57 33.83 6.33 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.465 -0.494 . . . . 0.0 111.368 178.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.687 HG11 ' HB1' ' A' ' 46' ' ' ALA . 11.5 m -44.85 168.33 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 CA-C-O 121.184 0.516 . . . . 0.0 110.606 -179.157 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -82.84 -50.32 8.76 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.645 178.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -141.83 124.38 15.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.718 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.636 ' HB2' HG21 ' A' ' 52' ' ' VAL . . . -120.34 128.28 53.12 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 121.024 0.44 . . . . 0.0 110.601 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 71.9 t -131.71 130.21 61.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.851 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.412 ' C ' ' SG ' ' A' ' 37' ' ' CYS . . . -113.53 106.51 1.78 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.015 -1.234 . . . . 0.0 110.015 179.005 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.417 ' O ' ' SG ' ' A' ' 37' ' ' CYS . 96.6 t -89.05 136.84 22.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 C-N-CA 120.269 -0.572 . . . . 0.0 110.627 -179.565 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.518 ' OE1' ' N ' ' A' ' 38' ' ' GLY . 4.2 tp10 -146.45 -150.95 0.36 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.041 179.716 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.602 ' O ' HG23 ' A' ' 60' ' ' ILE . 4.4 tt 169.69 93.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 178.338 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.534 ' OD1' ' N ' ' A' ' 65' ' ' ILE . 29.3 p30 -150.32 179.16 8.35 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -179.408 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.56 ' O ' HG22 ' A' ' 65' ' ' ILE . 98.0 m-20 -105.71 -69.17 0.83 Allowed 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.68 -0.408 . . . . 0.0 112.066 -179.206 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -69.76 -39.48 76.68 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -178.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 96.3 mtm-85 -77.71 -7.36 56.39 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.452 -178.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.56 HG22 ' O ' ' A' ' 62' ' ' ASP . 15.2 tt -60.11 -39.3 80.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 120.421 -0.512 . . . . 0.0 110.993 -179.199 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.468 ' N ' ' CG2' ' A' ' 65' ' ' ILE . 8.1 ptm180 -78.29 -27.99 47.44 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.066 -179.74 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -61.45 -47.42 85.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.973 -179.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.594 ' HB1' HG21 ' A' ' 83' ' ' ILE . . . -60.6 -40.9 93.5 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 121.09 -0.244 . . . . 0.0 111.617 -179.137 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 51.4 mt -61.37 -41.99 97.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.285 0.564 . . . . 0.0 109.882 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.67 -38.87 92.04 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.816 -179.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -60.09 -45.52 92.66 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.143 -0.623 . . . . 0.0 110.843 -178.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.5 mp -54.67 -45.86 72.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.418 -179.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -67.11 -42.9 83.73 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.371 178.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -57.03 -39.19 74.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.415 -178.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.588 ' ND2' HD13 ' A' ' 44' ' ' ILE . 68.2 m-80 -93.23 4.36 54.13 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.11 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 48.47 43.4 27.68 Favored Glycine 0 CA--C 1.522 0.5 0 C-N-CA 120.953 -0.641 . . . . 0.0 111.668 177.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.6 m -104.05 15.11 6.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.834 -179.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.9 p -61.64 130.29 45.18 Favored 'General case' 0 CA--C 1.51 -0.576 0 C-N-CA 120.352 -0.539 . . . . 0.0 111.683 -179.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 110.31 -16.67 29.48 Favored Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 109.883 -1.287 . . . . 0.0 109.883 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.666 ' HD3' ' HB1' ' A' ' 47' ' ' ALA . 13.8 ptp180 -130.06 -21.23 3.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.564 -0.318 . . . . 0.0 110.209 178.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -125.72 134.15 51.88 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.121 179.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 91.8 p -149.29 166.43 28.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.636 -179.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.594 HG21 ' HB1' ' A' ' 68' ' ' ALA . 0.0 OUTLIER -130.97 139.55 50.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 179.852 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 70.6 t -129.66 133.17 65.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.679 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.2 ptmt -95.69 153.1 17.9 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.125 179.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 132.91 -176.21 19.64 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 64.1 t-20 -88.07 125.17 34.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.875 0.369 . . . . 0.0 110.477 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -49.26 -27.73 4.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.342 -179.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -61.57 -49.24 77.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.27 0.557 . . . . 0.0 109.871 178.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -65.19 -39.92 93.51 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 89.1 t -70.94 131.41 34.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.758 -179.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.445 ' OD1' ' O ' ' A' ' 92' ' ' ASP . 46.9 p-10 -88.11 124.83 34.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.432 179.551 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 47.5 pt -118.09 14.56 7.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.127 -179.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' A' ' 118' ' ' GLU . 91.3 p -60.53 -27.74 67.86 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.534 -0.466 . . . . 0.0 110.747 -179.588 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -73.73 -20.39 60.53 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.297 179.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.541 ' HA ' HD11 ' A' ' 31' ' ' ILE . . . -70.96 136.22 48.34 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -178.596 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.866 HG23 HG23 ' A' ' 98' ' ' VAL . 14.2 t -98.78 -28.23 13.59 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.322 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.866 HG23 HG23 ' A' ' 97' ' ' THR . 97.1 t -127.81 127.87 68.69 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.978 179.336 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 62.6 t -133.12 140.6 46.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.175 0.512 . . . . 0.0 111.088 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 69.1 p -131.14 156.74 44.77 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.443 -0.798 . . . . 0.0 110.079 179.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 99.5 mtp -130.31 139.91 50.69 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.823 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -148.83 86.83 1.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.422 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 60.2 tp -142.61 125.0 15.59 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.092 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 92.4 mt -63.29 -40.48 97.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.767 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 69.7 p -83.39 158.86 21.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.918 0.39 . . . . 0.0 110.942 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 56.8 p30 -146.87 11.91 1.09 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.555 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.5 p -61.54 -30.12 47.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.926 -179.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -68.96 151.39 46.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.647 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -60.06 143.01 53.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.057 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 89.3 mmm -98.96 -55.67 2.65 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.393 -179.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 2.8 mm? 63.01 72.07 0.5 Allowed 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 121.163 0.506 . . . . 0.0 110.911 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.626 ' N ' ' CD ' ' A' ' 113' ' ' PRO . 63.9 mmtt -68.62 -37.58 10.38 Favored Pre-proline 0 CA--C 1.533 0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.627 179.375 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 112' ' ' LYS . 41.7 Cg_exo -58.44 -29.07 87.38 Favored 'Trans proline' 0 N--CA 1.5 1.879 0 C-N-CA 122.397 2.065 . . . . 0.0 112.481 -179.22 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 47.7 tptt -61.53 -38.1 86.16 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.102 0.477 . . . . 0.0 109.834 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 96.1 mt -60.57 -35.67 76.64 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.969 -179.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.522 ' OE2' ' ND1' ' A' ' 160' ' ' HIS . 99.1 mt-10 -61.23 -26.43 67.74 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.981 -179.17 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -96.9 -37.77 10.09 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.666 -0.414 . . . . 0.0 111.058 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.401 ' O ' ' CB ' ' A' ' 94' ' ' SER . 77.9 mm-40 -74.36 -51.75 14.18 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.681 -0.408 . . . . 0.0 111.543 -179.438 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.429 HD13 HG21 ' A' ' 123' ' ' THR . 86.0 mt -86.03 133.56 33.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.105 0.479 . . . . 0.0 110.894 -179.207 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt -72.96 151.62 90.71 Favored Pre-proline 0 C--N 1.328 -0.364 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -58.56 142.7 98.44 Favored 'Trans proline' 0 C--N 1.307 -1.614 0 C-N-CA 121.323 1.349 . . . . 0.0 111.409 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 98.28 -3.54 59.92 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 -179.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . 0.429 HG21 HD13 ' A' ' 119' ' ' LEU . 3.7 m -72.7 147.34 45.77 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 178.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -102.58 129.37 49.12 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 120.685 0.279 . . . . 0.0 110.518 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 57.9 t -124.07 128.9 74.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.731 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 87.0 t -119.2 123.38 71.24 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.075 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.428 ' O ' ' O ' ' A' ' 128' ' ' HIS . 40.9 t -100.86 146.55 27.18 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.908 0.385 . . . . 0.0 110.643 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . 0.512 ' CG ' ' N ' ' A' ' 129' ' ' GLU . 21.5 t-160 -49.32 -105.52 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.881 -179.202 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.512 ' N ' ' CG ' ' A' ' 128' ' ' HIS . 24.5 pt-20 -110.21 -21.81 12.07 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.423 -179.464 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -80.05 133.61 36.14 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.788 -179.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -81.91 163.24 22.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.409 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 70.6 mt -94.96 118.73 41.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.103 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 79.0 ttt-85 -82.08 140.83 33.63 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 178.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 90.8 -19.82 42.86 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.468 ' CZ3' ' CE2' ' A' ' 155' ' ' TYR . 36.2 m0 -114.5 159.02 20.84 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.044 0.45 . . . . 0.0 110.938 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -108.8 117.06 54.86 Favored Pre-proline 0 CA--C 1.537 0.451 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.05 179.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.31 153.26 61.62 Favored 'Trans proline' 0 N--CA 1.493 1.462 0 C-N-CA 121.435 1.423 . . . . 0.0 111.716 -179.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 47.9 tptt -84.69 -48.03 9.87 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.766 -0.373 . . . . 0.0 110.687 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -138.22 126.12 22.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.872 -179.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 62.4 t -127.94 125.59 65.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.54 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.401 HD13 HG21 ' A' ' 141' ' ' ILE . 25.8 pt -140.58 164.7 21.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 121.011 0.434 . . . . 0.0 111.15 179.742 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 20.3 mtmt -121.41 150.95 40.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.645 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 61.6 t -125.94 130.83 72.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.536 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 11.1 pm0 -114.88 125.82 54.09 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.211 0.529 . . . . 0.0 111.149 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -143.39 100.03 3.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.778 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 93.75 -115.65 5.02 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 33.5 p-10 -118.98 14.33 13.2 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.883 0.373 . . . . 0.0 111.004 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 64.8 mtt -140.09 157.01 46.31 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.16 179.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 51.5 p30 -128.9 167.59 17.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.157 0.503 . . . . 0.0 110.858 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -138.15 147.75 44.2 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.392 -179.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 63.6 m -123.45 140.17 53.28 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 63.8 t -130.37 132.38 64.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.762 0.315 . . . . 0.0 110.614 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -105.94 132.29 52.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.714 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 56.6 tp -110.42 135.23 51.43 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.34 -0.845 . . . . 0.0 108.734 179.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . 0.511 ' CG ' ' N ' ' A' ' 156' ' ' VAL . 75.5 t80 -138.19 158.51 44.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.573 0.702 . . . . 0.0 111.045 -179.782 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . 0.511 ' N ' ' CG ' ' A' ' 155' ' ' TYR . 65.7 t -128.1 126.69 66.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 114.587 -1.188 . . . . 0.0 111.089 179.728 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' ILE . . . . . . . . . . . . . 47.2 mm -68.82 129.77 33.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.81 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 140.3 -36.18 1.82 Allowed Glycine 0 CA--C 1.527 0.796 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . 0.444 ' O ' ' OH ' ' A' ' 155' ' ' TYR . 4.0 pt-20 -136.59 100.04 4.23 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.264 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . 0.522 ' ND1' ' OE2' ' A' ' 116' ' ' GLU . 0.0 OUTLIER -123.92 116.2 22.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.356 -178.89 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 175.45 101.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.532 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.541 0 CA-C-O 117.921 -1.038 . . . . 0.0 110.531 -179.999 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.5 mtm . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.8 t -61.11 -42.69 98.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.676 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -124.32 146.7 48.65 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.505 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.578 HG22 ' O ' ' A' ' 4' ' ' VAL . 7.3 p -131.01 70.48 82.62 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.603 -179.611 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.63 52.22 3.59 Favored 'Trans proline' 0 C--N 1.307 -1.607 0 C-N-CA 122.469 2.113 . . . . 0.0 112.068 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -158.43 109.81 2.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.569 -0.742 . . . . 0.0 109.648 179.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 28.7 m -138.16 150.15 66.04 Favored Pre-proline 0 CA--C 1.533 0.315 0 C-N-CA 120.755 -0.378 . . . . 0.0 111.324 -179.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -73.51 178.4 6.74 Favored 'Trans proline' 0 N--CA 1.494 1.559 0 C-N-CA 122.722 2.282 . . . . 0.0 111.531 178.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -47.39 146.08 2.18 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.636 ' O ' HG23 ' A' ' 10' ' ' VAL . 30.3 m -126.78 119.37 22.65 Favored Pre-proline 0 CA--C 1.536 0.415 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.308 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.651 ' CB ' HH22 ' A' ' 41' ' ' ARG . 51.8 Cg_exo -53.96 151.9 25.49 Favored 'Trans proline' 0 N--CA 1.494 1.543 0 C-N-CA 121.264 1.309 . . . . 0.0 111.015 178.605 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 42.1 p -60.14 155.08 47.4 Favored Pre-proline 0 CA--C 1.534 0.362 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.733 -178.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -57.54 150.43 60.5 Favored 'Trans proline' 0 N--CA 1.499 1.842 0 C-N-CA 121.965 1.777 . . . . 0.0 112.374 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.455 ' O ' HG12 ' A' ' 17' ' ' VAL . 22.2 pm0 -56.95 -13.78 2.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.373 0.606 . . . . 0.0 109.964 179.402 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -59.34 -38.78 81.23 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.274 -0.875 . . . . 0.0 110.681 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 56.6 t -59.71 -47.48 91.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 121.016 -0.274 . . . . 0.0 111.58 -178.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.455 HG12 ' O ' ' A' ' 14' ' ' GLU . 7.1 p -69.6 -30.3 44.62 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.715 179.726 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.519 ' NH2' ' OD2' ' A' ' 49' ' ' ASP . 7.9 mmm180 -61.89 -42.13 98.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.961 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 -67.14 -39.32 86.56 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.387 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 66.7 mtt -62.66 -37.09 85.02 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.191 0.519 . . . . 0.0 110.599 -179.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 85.8 mt -70.38 -40.32 74.05 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.318 -0.855 . . . . 0.0 112.028 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -66.0 -44.06 85.91 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -179.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.442 ' HB ' HD22 ' A' ' 154' ' ' LEU . 38.2 pt -67.98 -35.11 70.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.011 -178.682 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.45 ' HB1' HG13 ' A' ' 98' ' ' VAL . . . -68.16 -10.35 53.57 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.478 -179.416 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? 68.36 50.96 0.7 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.882 0.848 . . . . 0.0 110.05 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.463 HG22 HG11 ' A' ' 98' ' ' VAL . 82.9 t -84.27 112.34 21.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.253 179.511 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.474 ' H ' ' HB2' ' A' ' 30' ' ' ASP . 69.5 m -111.76 164.79 12.67 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.261 -0.882 . . . . 0.0 109.639 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -58.65 -17.29 21.1 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.616 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -100.28 -1.68 35.67 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.685 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.474 ' HB2' ' H ' ' A' ' 27' ' ' SER . 97.1 m-20 -105.83 140.39 38.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.818 0.342 . . . . 0.0 110.811 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.611 HD11 ' HA ' ' A' ' 96' ' ' ALA . 1.2 pp -89.76 158.19 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.452 179.719 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.502 ' N ' HD12 ' A' ' 31' ' ' ILE . 92.1 t -125.83 119.91 55.93 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-O 120.954 0.406 . . . . 0.0 111.326 179.26 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.452 ' CD1' HD13 ' A' ' 31' ' ' ILE . 2.1 m-30 -112.67 120.82 42.84 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 177.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.483 ' HB1' HD13 ' A' ' 42' ' ' ILE . . . -142.03 146.09 35.14 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.654 -0.418 . . . . 0.0 111.217 -178.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.492 HD12 ' H ' ' A' ' 35' ' ' LEU . 0.6 OUTLIER -110.53 8.54 23.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.084 179.79 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.461 ' O ' ' O ' ' A' ' 37' ' ' CYS . . . -92.77 11.13 72.78 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.096 -0.801 . . . . 0.0 111.096 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.591 ' SG ' ' N ' ' A' ' 40' ' ' GLY . 24.8 t -47.25 -102.84 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.498 0.189 . . . . 0.0 111.041 -179.397 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.557 ' N ' ' SG ' ' A' ' 37' ' ' CYS . . . 76.8 8.33 86.44 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.441 -1.063 . . . . 0.0 110.441 -179.573 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.44 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 4.3 t0 176.12 -20.09 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.841 0.353 . . . . 0.0 110.224 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.591 ' N ' ' SG ' ' A' ' 37' ' ' CYS . . . 92.44 -6.11 77.76 Favored Glycine 0 C--O 1.22 -0.74 0 N-CA-C 110.693 -0.963 . . . . 0.0 110.693 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.651 HH22 ' CB ' ' A' ' 11' ' ' PRO . 17.8 ptm180 -59.14 -20.51 54.36 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.834 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.637 HG23 HG23 ' A' ' 43' ' ' ILE . 16.8 tt -76.39 -43.39 36.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.637 HG23 HG23 ' A' ' 42' ' ' ILE . 32.6 pt -90.37 -29.11 4.91 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -179.348 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.487 HD13 ' OD1' ' A' ' 71' ' ' ASN . 70.5 mt -61.84 -41.96 92.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 111.547 0.202 . . . . 0.0 111.547 179.627 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 91.8 m -64.71 -24.15 67.48 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.209 0.528 . . . . 0.0 109.962 179.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.714 ' HB1' HG11 ' A' ' 52' ' ' VAL . . . -74.35 -66.45 0.73 Allowed 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.738 179.041 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.44 -39.65 84.23 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.987 -178.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -63.46 -46.01 88.19 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.574 -0.45 . . . . 0.0 111.483 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.519 ' OD2' ' NH2' ' A' ' 18' ' ' ARG . 37.2 t70 -104.86 -52.74 2.8 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -178.354 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.563 ' N ' ' O ' ' A' ' 46' ' ' ALA . 50.9 m-85 -74.75 -4.93 40.5 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -178.082 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.41 ' OD1' ' O ' ' A' ' 51' ' ' ASN . 47.9 t-20 49.65 36.33 10.43 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 178.376 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.778 HG21 ' HB2' ' A' ' 55' ' ' ALA . 2.9 m -58.29 127.99 18.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.338 0.59 . . . . 0.0 111.183 -179.304 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -49.61 -46.42 49.25 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.635 -179.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -138.78 124.37 19.57 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.534 -0.466 . . . . 0.0 110.605 -178.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.778 ' HB2' HG21 ' A' ' 52' ' ' VAL . . . -127.24 127.54 44.58 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.9 0.381 . . . . 0.0 110.044 179.668 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 76.6 t -131.19 133.47 62.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.907 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -115.17 130.8 9.36 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.331 -1.107 . . . . 0.0 110.331 179.19 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 81.4 t -97.31 120.33 46.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -130.63 -166.03 1.63 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.865 -179.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.651 ' O ' HG23 ' A' ' 60' ' ' ILE . 6.3 tt 169.72 89.59 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 178.289 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -150.4 -177.01 5.71 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.55 ' O ' HG22 ' A' ' 65' ' ' ILE . 98.5 m-20 -108.59 -65.73 1.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.26 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -71.04 -38.82 72.55 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 111.992 0.368 . . . . 0.0 111.992 -179.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 84.1 mtp180 -80.57 -7.33 59.2 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.787 -178.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.55 HG22 ' O ' ' A' ' 62' ' ' ASP . 14.1 tt -63.21 -38.69 82.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 120.224 -0.59 . . . . 0.0 111.005 -179.173 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.455 ' N ' ' CG2' ' A' ' 65' ' ' ILE . 37.3 ptt85 -80.84 -27.93 36.28 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.791 -179.604 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -61.65 -47.63 84.51 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.378 -179.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.95 -41.08 95.63 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -178.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.451 HD23 HD11 ' A' ' 83' ' ' ILE . 32.8 mt -60.58 -41.16 94.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.007 0.432 . . . . 0.0 110.467 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.61 -38.87 92.77 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.405 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.523 ' OD1' ' ND2' ' A' ' 75' ' ' ASN . 52.8 t-20 -64.16 -22.94 67.13 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -178.42 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.6 mp -71.48 -47.88 56.15 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 C-N-CA 120.043 -0.663 . . . . 0.0 109.872 178.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -65.49 -38.47 89.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.608 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -57.13 -40.02 76.31 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.227 -178.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.523 ' ND2' ' OD1' ' A' ' 71' ' ' ASN . 66.9 m-80 -93.58 3.29 55.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 49.7 44.04 38.34 Favored Glycine 0 CA--C 1.525 0.667 0 C-N-CA 121.225 -0.512 . . . . 0.0 112.028 178.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.7 m -107.82 15.79 7.54 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.371 0 CA-C-N 117.037 0.418 . . . . 0.0 111.512 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.9 p -46.89 156.41 0.2 Allowed 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 121.823 0.82 . . . . 0.0 111.289 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 75.66 -4.02 46.16 Favored Glycine 0 N--CA 1.445 -0.751 0 CA-C-N 114.186 -1.37 . . . . 0.0 111.182 178.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.599 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 79.3 mtt-85 -125.09 -31.05 3.14 Favored 'General case' 0 CA--C 1.52 -0.18 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 179.328 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -117.78 130.32 56.22 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.536 -179.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 62.7 m -139.68 159.35 42.37 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.132 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.451 HD11 HD23 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -128.17 136.52 59.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.546 179.358 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 85.3 t -128.19 131.68 69.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.673 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.35 150.8 19.87 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.336 179.426 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 135.91 -165.61 24.81 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.796 -0.921 . . . . 0.0 110.796 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -100.98 128.44 47.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.918 0.39 . . . . 0.0 110.668 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -49.03 -30.51 6.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.308 -179.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -64.69 -45.9 84.66 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.613 179.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -61.87 -40.46 95.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.428 -0.805 . . . . 0.0 112.38 -178.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.499 HG22 ' N ' ' A' ' 92' ' ' ASP . 11.1 p -86.07 157.68 3.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.9 -179.474 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.499 ' N ' HG22 ' A' ' 91' ' ' VAL . 97.8 m-20 -102.9 130.92 50.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.754 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 37.5 pt -117.68 14.63 7.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.99 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 93.7 p -60.26 -25.35 65.63 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.584 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.63 -20.12 61.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.386 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.611 ' HA ' HD11 ' A' ' 31' ' ' ILE . . . -67.16 128.09 35.08 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 -178.005 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.878 HG23 HG23 ' A' ' 98' ' ' VAL . 6.4 t -95.0 -25.85 16.33 Favored 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 178.738 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.878 HG23 HG23 ' A' ' 97' ' ' THR . 97.3 t -132.76 129.98 58.71 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.244 179.446 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 97.0 t -132.78 140.59 47.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 121.095 0.474 . . . . 0.0 110.943 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 65.9 p -133.96 158.65 42.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.431 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 65.8 mtt -131.56 149.4 52.52 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.7 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -135.92 139.67 43.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.976 -0.557 . . . . 0.0 109.989 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.441 ' H ' ' CD2' ' A' ' 128' ' ' HIS . 59.8 tp -51.26 122.45 7.79 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.063 -179.554 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 59.8 tp -161.25 -56.9 0.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.141 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 90.9 m -119.79 131.33 55.3 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.43 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -60.65 -40.51 92.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.181 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 82.2 t -104.93 121.0 56.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.967 0.413 . . . . 0.0 111.032 -179.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -163.26 138.92 6.74 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.43 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 54.45 58.9 4.51 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.794 -0.363 . . . . 0.0 110.436 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 7.9 mmt -41.09 -84.2 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.921 -178.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 7.7 mp -55.23 119.01 4.89 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.591 -178.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.544 ' N ' ' CD ' ' A' ' 113' ' ' PRO . 96.0 mttt -72.71 -38.19 4.77 Favored Pre-proline 0 CA--C 1.54 0.572 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.914 179.273 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.544 ' CD ' ' N ' ' A' ' 112' ' ' LYS . 86.2 Cg_endo -78.09 -5.84 15.41 Favored 'Trans proline' 0 N--CA 1.494 1.559 0 C-N-CA 122.108 1.872 . . . . 0.0 113.689 -177.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -61.7 -39.93 93.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.959 0.409 . . . . 0.0 110.499 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 95.7 mt -61.07 -35.8 77.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.792 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -61.56 -24.6 66.76 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.04 -179.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -97.57 -38.68 9.46 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.561 -0.455 . . . . 0.0 110.952 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -74.98 -51.17 14.33 Favored 'General case' 0 C--N 1.333 -0.136 0 C-N-CA 120.773 -0.371 . . . . 0.0 111.458 -179.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.732 HD23 HG21 ' A' ' 123' ' ' THR . 6.4 mp -82.79 132.11 35.18 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -71.4 151.86 94.11 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 116.34 -0.391 . . . . 0.0 109.96 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_endo -58.03 140.39 93.85 Favored 'Trans proline' 0 C--N 1.313 -1.335 0 C-N-CA 121.516 1.477 . . . . 0.0 111.369 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . 0.53 ' O ' ' NH2' ' A' ' 124' ' ' ARG . . . 101.74 -6.06 54.49 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.567 -1.013 . . . . 0.0 110.567 -179.157 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . 0.732 HG21 HD23 ' A' ' 119' ' ' LEU . 5.3 m -72.74 142.71 48.16 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 178.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.53 ' NH2' ' O ' ' A' ' 122' ' ' GLY . 11.6 mpt_? -97.78 130.58 44.71 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.965 0.412 . . . . 0.0 110.889 -179.588 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 59.2 t -121.66 126.53 74.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.73 178.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 59.5 t -121.2 124.06 71.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.732 -179.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 66.6 m -98.73 154.94 17.6 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.555 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . 0.49 ' ND1' ' N ' ' A' ' 129' ' ' GLU . 60.7 t-80 -63.01 -100.28 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.471 -179.453 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.49 ' N ' ' ND1' ' A' ' 128' ' ' HIS . 24.2 pt-20 -112.57 -19.55 12.05 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.747 0.308 . . . . 0.0 111.004 -179.755 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -85.97 130.61 34.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.014 -179.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -81.07 158.15 25.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.184 179.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 73.5 mt -93.98 117.79 38.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 109.83 -0.434 . . . . 0.0 109.83 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -74.13 139.75 44.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.074 179.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 89.26 -27.49 7.57 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.296 -0.722 . . . . 0.0 111.296 179.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 12.8 m0 -95.95 144.17 26.49 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.033 0.444 . . . . 0.0 111.137 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -99.29 110.98 60.17 Favored Pre-proline 0 CA--C 1.537 0.464 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.15 179.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -72.33 150.08 52.0 Favored 'Trans proline' 0 N--CA 1.495 1.566 0 C-N-CA 121.62 1.546 . . . . 0.0 112.256 -179.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -86.75 -48.5 8.19 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.654 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -130.65 130.4 43.88 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.899 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 65.7 t -130.41 123.8 56.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.141 179.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 22.6 pt -140.81 164.0 21.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 120.513 -0.475 . . . . 0.0 111.439 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 39.0 mtpt -120.46 151.13 39.74 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.235 -0.893 . . . . 0.0 112.02 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 60.2 t -124.92 129.86 73.38 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 114.818 -1.083 . . . . 0.0 109.265 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . 0.437 ' O ' ' OD1' ' A' ' 145' ' ' ASP . 21.4 pt-20 -117.01 123.07 45.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.121 0.486 . . . . 0.0 110.998 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' A' ' 144' ' ' GLU . 98.9 m-20 -139.45 101.01 4.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.283 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 94.93 -117.08 5.5 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -118.89 17.05 13.45 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-O 120.701 0.286 . . . . 0.0 110.829 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 93.3 mtp -140.36 158.2 44.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.172 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 49.8 p30 -130.45 166.02 21.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.292 0.567 . . . . 0.0 111.145 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -137.6 149.89 47.01 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.9 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.444 ' O ' ' O ' ' A' ' 128' ' ' HIS . 30.0 m -122.32 140.09 53.05 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.455 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 70.7 t -128.61 132.45 67.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.715 0.293 . . . . 0.0 110.94 -179.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -106.93 129.73 54.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.119 179.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.442 HD22 ' HB ' ' A' ' 23' ' ' ILE . 66.7 tp -114.88 127.4 55.68 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.413 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . 0.478 ' CZ ' ' O ' ' A' ' 156' ' ' VAL . 69.3 t80 -143.92 134.07 24.3 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.386 -0.526 . . . . 0.0 111.815 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . 0.478 ' O ' ' CZ ' ' A' ' 155' ' ' TYR . 7.1 p -98.56 138.71 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.862 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' ILE . . . . . . . . . . . . . 49.0 mm -72.55 134.32 30.05 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.62 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 143.65 -27.03 2.09 Favored Glycine 0 CA--C 1.527 0.784 0 C-N-CA 121.038 -0.601 . . . . 0.0 111.664 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . 0.447 ' O ' ' OH ' ' A' ' 155' ' ' TYR . 53.1 tp10 -148.51 100.81 3.17 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 179.488 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 24.5 p80 -130.72 136.16 48.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.616 -179.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 46.4 mtpt 73.08 144.31 0.07 Allowed 'General case' 0 N--CA 1.462 0.174 0 O-C-N 123.686 0.616 . . . . 0.0 109.609 -178.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.555 -179.588 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.402 ' C ' ' H ' ' A' ' 3' ' ' TYR . 15.0 mmt . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.6 m 58.33 7.77 0.73 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.639 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.402 ' H ' ' C ' ' A' ' 1' ' ' MET . 64.2 m-85 -136.92 151.55 49.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.159 179.288 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.2 t 52.56 61.59 11.48 Favored Pre-proline 0 C--N 1.329 -0.316 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.474 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.47 153.12 70.68 Favored 'Trans proline' 0 C--N 1.308 -1.569 0 C-N-CA 122.516 2.144 . . . . 0.0 111.988 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -83.5 72.89 10.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.044 -179.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.667 ' O ' HG23 ' A' ' 7' ' ' VAL . 33.0 m -132.54 71.8 78.57 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 179.455 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -58.24 142.93 97.69 Favored 'Trans proline' 0 N--CA 1.496 1.653 0 C-N-CA 122.765 2.31 . . . . 0.0 112.561 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 43.5 t80 -134.81 129.48 34.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.254 179.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.636 HG13 ' O ' ' A' ' 10' ' ' VAL . 11.7 p -153.77 117.13 2.68 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.096 179.472 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -78.16 131.31 10.76 Favored 'Trans proline' 0 N--CA 1.49 1.297 0 C-N-CA 121.47 1.447 . . . . 0.0 111.774 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.6 p -42.55 106.75 0.48 Allowed Pre-proline 0 CA--C 1.54 0.579 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -178.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -55.65 174.02 0.32 Allowed 'Trans proline' 0 N--CA 1.496 1.649 0 C-N-CA 122.31 2.007 . . . . 0.0 112.103 178.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -64.02 -22.77 67.07 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.074 0.464 . . . . 0.0 110.293 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.0 -34.98 77.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.491 0.662 . . . . 0.0 110.103 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 69.5 t -62.77 -44.84 99.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.859 -179.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.97 -27.94 39.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 C-N-CA 120.454 -0.499 . . . . 0.0 110.628 -179.464 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.526 ' NH2' ' OD2' ' A' ' 49' ' ' ASP . 10.1 mmm180 -60.72 -41.31 95.05 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.859 -179.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.6 mmt-85 -68.71 -37.76 79.76 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.831 178.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 96.1 mtp -61.82 -37.09 83.14 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.523 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.831 ' O ' HG12 ' A' ' 26' ' ' VAL . 85.4 mt -70.9 -40.82 71.94 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.023 179.4 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -64.16 -46.67 82.99 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 -179.131 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 37.9 pt -64.61 -35.71 75.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.989 -178.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.473 ' HB1' HG13 ' A' ' 98' ' ' VAL . . . -67.45 -10.17 48.85 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.569 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.2 tptt 64.33 27.06 13.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.651 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.831 HG12 ' O ' ' A' ' 21' ' ' LEU . 7.3 p -65.05 122.68 16.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.865 -179.718 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.438 ' H ' ' HB2' ' A' ' 30' ' ' ASP . 10.0 t -115.35 174.12 6.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.667 179.341 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -62.01 -19.67 63.09 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.177 -179.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -96.01 -1.64 48.53 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.228 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.438 ' HB2' ' H ' ' A' ' 27' ' ' SER . 97.0 m-20 -106.1 140.96 38.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.832 0.349 . . . . 0.0 110.923 -179.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.61 HD11 ' HA ' ' A' ' 96' ' ' ALA . 1.2 pp -90.21 157.31 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.769 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.509 ' N ' HD12 ' A' ' 31' ' ' ILE . 92.7 t -124.19 119.45 56.69 Favored 'Isoleucine or valine' 0 C--O 1.232 0.147 0 CA-C-O 120.904 0.383 . . . . 0.0 111.891 179.675 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.438 ' CD1' HD13 ' A' ' 31' ' ' ILE . 2.1 m-30 -112.37 106.05 14.47 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 177.613 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.574 ' HB1' HD13 ' A' ' 42' ' ' ILE . . . -125.04 142.41 51.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.072 0.463 . . . . 0.0 111.625 -178.609 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.476 HD12 ' H ' ' A' ' 35' ' ' LEU . 0.9 OUTLIER -106.36 6.32 30.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.224 179.565 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.469 ' O ' ' O ' ' A' ' 37' ' ' CYS . . . -93.81 11.96 70.15 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.521 -0.631 . . . . 0.0 111.521 -179.412 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.59 ' SG ' ' N ' ' A' ' 40' ' ' GLY . 21.4 t -44.22 -99.25 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.647 0.224 . . . . 0.0 110.77 -179.536 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.497 ' N ' ' SG ' ' A' ' 37' ' ' CYS . . . 75.87 8.94 85.11 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.456 ' OD2' ' ND2' ' A' ' 71' ' ' ASN . 0.8 OUTLIER 169.43 -16.58 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.646 0.26 . . . . 0.0 110.56 179.85 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.59 ' N ' ' SG ' ' A' ' 37' ' ' CYS . . . 93.43 -5.94 74.58 Favored Glycine 0 C--O 1.221 -0.696 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 35.9 ptt-85 -59.6 -19.9 52.11 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.914 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.601 HG23 HG23 ' A' ' 43' ' ' ILE . 14.9 tt -77.36 -43.41 30.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.601 HG23 HG23 ' A' ' 42' ' ' ILE . 34.7 pt -90.06 -26.63 5.27 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -179.207 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.672 HD13 ' ND2' ' A' ' 75' ' ' ASN . 60.6 mt -61.93 -41.89 92.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 179.342 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 99.4 m -65.68 -26.02 67.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.183 0.516 . . . . 0.0 110.289 179.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.729 ' HB1' HG11 ' A' ' 52' ' ' VAL . . . -73.49 -66.33 0.71 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.891 179.101 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.66 -38.85 82.57 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.632 -178.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -63.09 -45.78 90.47 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.646 -0.421 . . . . 0.0 111.23 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.526 ' OD2' ' NH2' ' A' ' 18' ' ' ARG . 63.7 t0 -105.89 -52.99 2.71 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 -178.477 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.575 ' N ' ' O ' ' A' ' 46' ' ' ALA . 50.1 m-85 -72.64 -6.06 41.67 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 -178.45 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 58.8 t30 49.88 33.65 6.8 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.555 -0.458 . . . . 0.0 111.522 178.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.809 HG21 ' HB2' ' A' ' 55' ' ' ALA . 3.3 m -53.08 129.21 13.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.349 0.595 . . . . 0.0 111.297 -178.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -48.41 -47.76 37.62 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.186 -0.916 . . . . 0.0 110.272 -178.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -142.19 123.09 14.43 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.506 -0.478 . . . . 0.0 110.313 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.809 ' HB2' HG21 ' A' ' 52' ' ' VAL . . . -120.22 127.48 52.47 Favored 'General case' 0 CA--C 1.52 -0.203 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 67.4 t -131.97 132.25 61.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.156 -179.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -106.21 132.72 11.26 Favored Glycine 0 CA--C 1.521 0.449 0 N-CA-C 109.594 -1.402 . . . . 0.0 109.594 178.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 61.7 t -103.73 121.19 54.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -138.34 -165.19 1.76 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.3 -179.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.689 ' O ' HG23 ' A' ' 60' ' ' ILE . 7.9 tt 170.99 85.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 108.482 -0.932 . . . . 0.0 108.482 178.521 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.441 ' OD1' ' O ' ' A' ' 60' ' ' ILE . 99.0 m-20 -144.58 179.29 7.38 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 -179.636 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.574 ' O ' HG22 ' A' ' 65' ' ' ILE . 98.1 m-20 -103.98 -66.82 0.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.508 -0.477 . . . . 0.0 111.232 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -70.5 -38.73 74.37 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.823 0.344 . . . . 0.0 111.834 -179.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 45.1 mmm-85 -77.19 -8.15 57.07 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.45 -178.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.574 HG22 ' O ' ' A' ' 62' ' ' ASP . 13.5 tt -64.42 -37.24 79.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 C-N-CA 120.34 -0.544 . . . . 0.0 111.498 -178.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.436 ' N ' ' CG2' ' A' ' 65' ' ' ILE . 8.0 ptm180 -81.84 -31.1 31.81 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.832 -178.644 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.409 ' O ' ' ND2' ' A' ' 71' ' ' ASN . 94.6 mt-10 -61.87 -45.2 94.8 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.049 -0.661 . . . . 0.0 110.984 -179.151 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.403 ' HB1' HG21 ' A' ' 83' ' ' ILE . . . -60.77 -39.98 90.82 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 121.01 -0.276 . . . . 0.0 111.246 -179.292 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 36.6 mt -62.05 -41.27 97.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.195 0.522 . . . . 0.0 109.669 179.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.12 -39.25 94.14 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.705 -179.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.456 ' ND2' ' OD2' ' A' ' 39' ' ' ASP . 67.4 m-80 -60.23 -44.87 94.84 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.215 -0.594 . . . . 0.0 110.775 -178.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.4 mp -53.39 -50.68 46.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.533 -179.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.6 -42.09 95.78 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.448 179.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 52.8 tptt -56.96 -38.06 72.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.742 -178.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.672 ' ND2' HD13 ' A' ' 44' ' ' ILE . 67.5 m-80 -93.76 4.52 53.81 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.25 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 48.89 41.9 28.89 Favored Glycine 0 CA--C 1.523 0.551 0 C-N-CA 121.119 -0.563 . . . . 0.0 111.804 177.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 6.8 m -102.97 10.89 8.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.328 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.2 122.99 11.44 Favored 'General case' 0 CA--C 1.52 -0.205 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.674 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 113.68 -11.81 23.16 Favored Glycine 0 CA--C 1.519 0.312 0 N-CA-C 109.855 -1.298 . . . . 0.0 109.855 -179.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.627 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 36.9 mtt85 -128.88 -29.97 2.29 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 178.619 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -120.42 131.79 54.95 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.865 -179.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.5 t -145.15 162.39 37.18 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.911 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.403 HG21 ' HB1' ' A' ' 68' ' ' ALA . 0.0 OUTLIER -126.75 135.24 64.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.166 179.515 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 87.4 t -126.13 131.5 71.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.073 -179.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.96 158.82 16.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.127 179.325 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 144.18 -167.04 27.0 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.844 ' O ' HG23 ' A' ' 91' ' ' VAL . 98.5 m-20 -95.6 136.36 36.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.028 0.442 . . . . 0.0 110.692 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -56.94 -37.74 71.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.715 -178.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -69.36 -35.36 75.78 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.119 0.485 . . . . 0.0 110.01 179.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -83.75 -3.33 57.73 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.896 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.844 HG23 ' O ' ' A' ' 87' ' ' ASN . 93.8 t -105.89 127.01 61.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.807 0.337 . . . . 0.0 110.81 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -99.99 125.16 45.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.825 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 40.3 pt -115.14 20.89 6.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.985 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 92.4 p -59.73 -27.85 66.83 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.536 -178.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.25 -19.04 61.16 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.856 -0.338 . . . . 0.0 111.657 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.61 ' HA ' HD11 ' A' ' 31' ' ' ILE . . . -68.1 128.28 35.97 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -177.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.844 HG23 HG23 ' A' ' 98' ' ' VAL . 7.4 t -95.81 -26.81 15.5 Favored 'General case' 0 CA--C 1.528 0.106 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 178.527 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.844 HG23 HG23 ' A' ' 97' ' ' THR . 79.1 t -130.79 127.77 62.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.932 179.213 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 98.2 t -132.81 140.14 48.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.215 0.531 . . . . 0.0 111.246 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 74.1 p -131.41 156.01 46.31 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.078 179.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 62.8 tpp -129.35 124.49 34.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.764 0.316 . . . . 0.0 110.579 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -143.26 108.06 4.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.441 179.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 89.8 mt -127.26 146.6 50.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.59 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.652 HD12 ' N ' ' A' ' 104' ' ' LEU . 8.3 mp -62.58 -38.93 92.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.441 179.626 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 76.0 p -112.2 161.88 16.09 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.456 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -97.75 146.0 25.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.994 -179.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.441 HG12 ' H ' ' A' ' 109' ' ' GLU . 86.7 t -124.87 134.88 65.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.295 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -60.5 -39.66 88.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.494 -179.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.441 ' H ' HG12 ' A' ' 107' ' ' VAL . 15.4 tm-20 -135.68 123.22 22.14 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 121.043 0.449 . . . . 0.0 111.699 -179.637 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 50.6 mmm -142.86 -26.66 0.6 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.151 179.366 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.406 HD22 HD11 ' A' ' 115' ' ' LEU . 81.2 mt -112.64 143.89 43.06 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.925 0.393 . . . . 0.0 110.91 -179.395 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.519 ' C ' ' H ' ' A' ' 114' ' ' LYS . 23.1 mmtp -132.48 153.48 81.19 Favored Pre-proline 0 CA--C 1.535 0.39 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.806 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_exo -47.87 -7.0 0.05 OUTLIER 'Trans proline' 0 N--CA 1.495 1.562 0 C-N-CA 122.261 1.974 . . . . 0.0 112.286 178.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.519 ' H ' ' C ' ' A' ' 112' ' ' LYS . 68.6 mttm -60.8 -23.94 65.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.625 -179.562 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.406 HD11 HD22 ' A' ' 111' ' ' LEU . 96.5 mt -60.81 -36.54 79.33 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.214 0.53 . . . . 0.0 109.906 179.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -64.24 -22.32 66.9 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.766 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.63 -39.17 9.22 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.887 179.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -77.48 -52.85 8.4 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.916 -0.314 . . . . 0.0 111.262 -179.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.787 HD23 HG21 ' A' ' 123' ' ' THR . 7.4 mp -83.13 133.81 35.02 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.765 -0.458 . . . . 0.0 109.765 179.724 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.404 ' HG2' ' H ' ' A' ' 120' ' ' LYS . 12.3 ptpt -71.93 154.15 92.7 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.281 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_endo -60.76 142.17 96.96 Favored 'Trans proline' 0 C--N 1.311 -1.412 0 C-N-CA 121.866 1.711 . . . . 0.0 111.644 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 96.19 -4.68 65.12 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.15 -1.18 . . . . 0.0 110.15 -179.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . 0.787 HG21 HD23 ' A' ' 119' ' ' LEU . 1.3 m -71.02 147.53 48.51 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 178.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -102.64 129.04 49.11 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.882 -179.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 63.2 t -123.36 129.32 74.86 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.054 178.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 57.4 t -119.34 123.1 70.64 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-O 120.595 0.236 . . . . 0.0 111.303 -179.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 38.4 t -99.28 143.11 29.91 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.906 0.384 . . . . 0.0 110.485 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -49.13 -103.17 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.636 -178.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -109.66 -28.8 8.66 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -178.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -85.14 119.82 25.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.029 0.442 . . . . 0.0 111.246 -179.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 19.9 pm0 -67.39 161.98 24.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.415 179.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.46 HD12 ' CD1' ' A' ' 155' ' ' TYR . 80.6 mt -90.06 119.77 37.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 30.7 tpt85 -74.16 139.06 44.22 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 91.75 -21.27 37.08 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.434 -0.666 . . . . 0.0 111.434 179.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.465 ' NE1' ' CD2' ' A' ' 160' ' ' HIS . 13.2 m0 -106.98 152.29 24.16 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.941 0.4 . . . . 0.0 111.091 -179.545 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -104.94 115.84 61.77 Favored Pre-proline 0 CA--C 1.538 0.496 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.814 179.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -71.74 150.27 55.95 Favored 'Trans proline' 0 N--CA 1.493 1.491 0 C-N-CA 121.512 1.474 . . . . 0.0 112.145 -179.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -83.74 -47.47 11.14 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.667 -0.413 . . . . 0.0 109.945 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -132.61 131.57 41.57 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.645 179.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 66.8 t -130.15 122.88 54.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.272 179.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.415 HD13 HG21 ' A' ' 141' ' ' ILE . 25.0 pt -143.03 163.4 16.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 C-N-CA 120.435 -0.506 . . . . 0.0 111.36 179.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 26.1 mtmt -120.6 152.59 37.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.697 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 60.7 t -125.88 129.74 72.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.372 179.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -112.18 121.38 44.77 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -140.86 98.23 3.35 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.572 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 96.33 -119.06 6.17 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -117.05 16.43 15.02 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.822 0.344 . . . . 0.0 110.433 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . 0.588 ' N ' ' SD ' ' A' ' 148' ' ' MET . 1.2 mpt? -139.79 155.27 47.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.401 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 54.1 p30 -124.16 164.48 19.4 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.157 0.504 . . . . 0.0 110.774 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -137.34 147.62 45.7 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.015 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 51.1 m -123.24 139.69 53.79 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 179.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 67.4 t -129.4 131.26 67.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.782 0.325 . . . . 0.0 110.494 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -109.2 133.48 52.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.833 -179.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 68.7 tp -112.75 131.28 55.74 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . 0.46 ' CD1' HD12 ' A' ' 132' ' ' ILE . 90.2 m-85 -125.3 160.97 28.01 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 179.619 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 66.8 t -129.67 125.37 61.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.825 179.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' ILE . . . . . . . . . . . . . 44.3 mm -69.82 133.52 31.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.645 -179.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 135.23 -32.23 2.59 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.224 -1.15 . . . . 0.0 110.224 -179.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -149.8 138.54 20.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.72 0.295 . . . . 0.0 110.363 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . 0.465 ' CD2' ' NE1' ' A' ' 135' ' ' TRP . 56.2 p-80 -168.95 140.99 2.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.65 179.697 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 6.4 mtmt 169.46 172.49 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.231 179.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.547 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.623 -179.963 . . . . . . . . 0 0 . 1 stop_ save_