data_2dw3_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 2dw3 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.648 ' O ' ' HD3' ' A' ' 19' ' ' ARG . 6.7 tttp . . . . . 0 N--CA 1.457 -0.116 0 CA-C-O 120.854 0.359 . . . . 0.0 110.753 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.7 m -70.72 -42.11 71.01 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -65.62 -40.92 93.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.858 0.361 . . . . 0.0 110.72 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.5 tt -61.79 -46.67 88.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.82 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.648 ' HD3' ' O ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -63.56 -40.63 97.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.553 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.66 -46.31 86.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.032 0.444 . . . . 0.0 110.562 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 13.6 t-105 -61.42 -54.42 43.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.06 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.9 t -61.73 -40.33 86.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.073 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.79 -49.08 78.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.046 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -64.55 -45.6 86.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -61.14 -46.37 90.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.939 -179.503 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.587 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 6.1 mmm -67.34 -48.02 68.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.327 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.7 mtp -63.73 -61.39 2.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.647 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.28 -43.22 95.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.873 0.368 . . . . 0.0 110.838 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.82 -66.08 2.71 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.881 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.587 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . -62.45 -48.41 79.78 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -179.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.77 -69.94 1.13 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.59 -0.815 . . . . 0.0 113.087 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -57.05 -64.66 0.81 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -179.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.99 -65.14 0.65 Allowed 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -178.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.491 ' O ' ' HB2' ' A' ' 38' ' ' PHE . . . -61.19 -41.89 99.62 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.552 -0.832 . . . . 0.0 112.995 -179.361 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -60.75 -60.39 8.54 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.531 -0.842 . . . . 0.0 113.027 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.0 t -63.31 -52.13 62.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -179.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.792 ' O ' ' HB2' ' A' ' 41' ' ' LEU . 1.7 t80 -59.84 -64.99 0.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.475 -179.249 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.519 ' O ' ' HB2' ' A' ' 42' ' ' LEU . 0.1 OUTLIER -64.31 -45.31 88.49 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.523 0.201 . . . . 0.0 111.368 -179.42 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.84 -62.63 5.88 Favored Glycine 0 CA--C 1.52 0.37 0 C-N-CA 120.755 -0.736 . . . . 0.0 113.467 -179.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.591 HG21 HG12 ' A' ' 44' ' ' ILE . 2.4 m -59.99 -57.43 12.88 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 -179.241 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.792 ' HB2' ' O ' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -48.33 -44.41 34.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.59 -179.446 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.519 ' HB2' ' O ' ' A' ' 38' ' ' PHE . 6.5 mp -68.79 -46.91 67.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.706 0.289 . . . . 0.0 111.356 -179.648 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.512 ' O ' ' HB2' ' A' ' 47' ' ' PHE . 0.4 OUTLIER -65.87 -68.02 0.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.136 -179.398 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.796 ' O ' ' HB2' ' A' ' 48' ' ' ARG . 1.4 pt -64.54 -35.07 73.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -179.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.472 ' HA3' ' O ' ' A' ' 41' ' ' LEU . . . -63.5 -57.69 13.96 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.333 -0.937 . . . . 0.0 112.901 -179.7 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.654 ' CE1' HG21 ' A' ' 50' ' ' VAL . 27.4 t80 -65.72 -41.94 91.68 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -179.286 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.512 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -66.82 -43.15 84.53 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 121.053 -0.259 . . . . 0.0 111.264 -179.635 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.796 ' HB2' ' O ' ' A' ' 44' ' ' ILE . 2.1 mtp85 -67.42 -38.7 85.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.588 0.232 . . . . 0.0 111.556 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.43 HG13 HG22 ' A' ' 50' ' ' VAL . 10.2 p -71.63 -51.1 34.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 120.84 -0.344 . . . . 0.0 111.658 -179.128 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.654 HG21 ' CE1' ' A' ' 46' ' ' PHE . 21.8 t -71.09 -42.21 76.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.93 0.395 . . . . 0.0 111.658 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -65.97 -57.51 10.68 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 121.114 -0.565 . . . . 0.0 113.013 -179.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.522 ' HB2' ' O ' ' A' ' 48' ' ' ARG . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.397 0 CA-C-O 120.562 0.22 . . . . 0.0 111.432 -179.457 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.3 tttt . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 120.744 0.307 . . . . 0.0 111.379 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.4 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 0.7 OUTLIER -71.08 -43.17 68.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.156 -179.569 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -64.41 -50.24 68.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.815 0.341 . . . . 0.0 110.96 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 tt -59.45 -49.56 77.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.292 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.91 -50.07 73.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.073 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.519 ' O ' ' HB2' ' A' ' 24' ' ' PHE . 2.6 tp -59.93 -39.59 86.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.811 0.339 . . . . 0.0 110.793 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.479 ' O ' ' HB2' ' A' ' 25' ' ' GLN . 0.7 OUTLIER -60.59 -59.35 5.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.072 -179.897 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.0 t -60.04 -46.36 94.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.686 -179.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.1 -55.04 38.84 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -179.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.519 ' HB2' ' O ' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -62.42 -40.63 97.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.653 0.263 . . . . 0.0 111.376 -179.424 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.479 ' HB2' ' O ' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -63.19 -54.56 35.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.477 -179.512 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.5 ttt -67.49 -51.47 50.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.743 -179.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.64 -65.14 0.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -179.007 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.401 ' HD2' ' CD2' ' A' ' 24' ' ' PHE . 0.6 OUTLIER -64.29 -38.21 90.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.444 -179.169 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.512 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . -61.6 -66.56 2.57 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.418 -0.896 . . . . 0.0 112.379 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.441 ' O ' ' HA3' ' A' ' 34' ' ' GLY . . . -58.63 -39.01 79.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.933 0.397 . . . . 0.0 110.757 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.88 -77.76 0.23 Allowed Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.764 -0.731 . . . . 0.0 113.065 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 14.5 t90 -57.03 -67.15 0.34 Allowed 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -178.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.512 ' HB3' ' O ' ' A' ' 29' ' ' GLY . . . -54.37 -37.13 64.63 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.664 0.268 . . . . 0.0 111.035 -178.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.441 ' HA3' ' O ' ' A' ' 30' ' ' ALA . . . -61.56 -51.14 59.67 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.091 -1.052 . . . . 0.0 111.863 179.203 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.14 -59.19 9.36 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.983 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.4 t -60.65 -53.72 45.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -179.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.615 ' O ' ' HB2' ' A' ' 41' ' ' LEU . 20.6 t80 -59.14 -67.01 0.41 Allowed 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.64 0.237 . . . . 0.0 111.64 -178.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.667 ' O ' ' HB2' ' A' ' 42' ' ' LEU . 93.9 m-85 -63.3 -44.55 94.69 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.922 -0.311 . . . . 0.0 111.191 -179.455 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.5 -59.71 10.11 Favored Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.38 -0.914 . . . . 0.0 112.933 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 28.7 m -60.17 -49.77 76.3 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.615 ' HB2' ' O ' ' A' ' 37' ' ' PHE . 2.5 tp -60.08 -44.6 94.67 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.674 0.25 . . . . 0.0 111.674 -179.31 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.667 ' HB2' ' O ' ' A' ' 38' ' ' PHE . 0.7 OUTLIER -64.94 -39.49 93.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.644 0.259 . . . . 0.0 111.053 -179.686 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.401 ' HA ' HD12 ' A' ' 43' ' ' LEU . 3.7 mm? -68.47 -52.77 28.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.201 -179.579 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.586 ' O ' ' HB2' ' A' ' 48' ' ' ARG . 1.9 pp -64.66 -44.04 96.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.315 -179.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.71 -51.31 58.29 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.915 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.5 ' O ' ' HB ' ' A' ' 50' ' ' VAL . 3.4 m-85 -63.35 -52.39 61.97 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.723 0.296 . . . . 0.0 111.632 -179.374 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.405 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 11.5 m-85 -64.02 -51.23 65.18 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -178.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.586 ' HB2' ' O ' ' A' ' 44' ' ' ILE . 11.1 mtt180 -69.06 -52.39 29.0 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -179.341 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 15.3 t -73.43 -64.59 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -178.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.5 ' HB ' ' O ' ' A' ' 46' ' ' PHE . 19.0 t -65.72 -43.9 93.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.61 0.243 . . . . 0.0 111.572 -179.293 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.405 ' HA3' ' O ' ' A' ' 47' ' ' PHE . . . -62.56 -40.13 98.74 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.479 -0.867 . . . . 0.0 112.85 -179.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.401 ' HB2' ' O ' ' A' ' 48' ' ' ARG . 6.0 ttp-105 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 122.626 -0.338 . . . . 0.0 111.441 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.79 ' HB2' ' HB2' ' A' ' 19' ' ' ARG . 55.3 mmtt . . . . . 0 CA--C 1.534 0.335 0 CA-C-O 120.511 0.196 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 82.0 p 36.91 -95.72 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.501 ' HA ' HD21 ' A' ' 20' ' ' LEU . 30.3 m120 -62.93 -42.68 99.88 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 120.732 0.301 . . . . 0.0 110.617 -179.492 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.9 mt -66.58 -35.35 79.99 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.132 179.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.79 ' HB2' ' HB2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -61.77 -64.47 0.93 Allowed 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.272 0.558 . . . . 0.0 110.716 179.542 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.501 HD21 ' HA ' ' A' ' 17' ' ' ASN . 3.5 pp -59.68 -31.75 69.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.171 -179.24 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.462 ' HB2' ' O ' ' A' ' 17' ' ' ASN . 13.3 t90 -61.59 -61.9 2.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.702 0.287 . . . . 0.0 110.986 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.4 t -63.08 -46.43 96.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.52 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.497 ' O ' ' HB2' ' A' ' 27' ' ' MET . . . -56.92 -56.06 26.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.86 0.362 . . . . 0.0 111.221 -179.648 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.677 ' O ' ' HB3' ' A' ' 28' ' ' LYS . 6.4 m-85 -61.3 -35.9 78.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.93 0.395 . . . . 0.0 110.941 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -60.53 -63.87 1.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.064 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.438 ' O ' ' HB2' ' A' ' 30' ' ' ALA . 21.2 mmt -69.1 -53.91 17.79 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -179.468 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.497 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -65.88 -64.87 0.76 Allowed 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -178.526 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.677 ' HB3' ' O ' ' A' ' 24' ' ' PHE . 7.8 tttp -63.67 -38.1 89.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.823 -0.171 . . . . 0.0 111.121 -178.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.8 -66.54 2.57 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.497 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.438 ' HB2' ' O ' ' A' ' 26' ' ' MET . . . -61.18 -42.83 99.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.86 0.362 . . . . 0.0 110.566 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.46 ' O ' ' HA3' ' A' ' 35' ' ' GLY . . . -59.73 -37.76 92.87 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.573 -0.822 . . . . 0.0 111.903 179.482 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.599 ' HB3' ' O ' ' A' ' 28' ' ' LYS . 0.4 OUTLIER -62.67 -66.16 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.788 0.328 . . . . 0.0 110.501 179.629 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.482 ' N ' ' CG ' ' A' ' 32' ' ' TRP . . . -58.9 -61.45 2.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.0 0.429 . . . . 0.0 110.98 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.442 ' O ' ' HB2' ' A' ' 38' ' ' PHE . . . -59.07 -44.16 96.5 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.685 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.46 ' HA3' ' O ' ' A' ' 31' ' ' GLY . . . -59.36 -52.85 50.74 Favored Glycine 0 CA--C 1.517 0.215 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.997 -179.562 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.444 HG21 ' O ' ' A' ' 32' ' ' TRP . 51.0 t -66.76 -47.54 82.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.654 0.264 . . . . 0.0 111.297 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.595 ' O ' ' HB2' ' A' ' 41' ' ' LEU . 15.0 m-85 -60.11 -62.23 2.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.96 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.505 ' O ' HD22 ' A' ' 42' ' ' LEU . 6.4 m-85 -64.23 -38.7 91.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.754 0.311 . . . . 0.0 111.123 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.5 -63.82 4.78 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.35 -0.929 . . . . 0.0 112.965 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.434 HG22 HG13 ' A' ' 36' ' ' VAL . 22.4 p -60.54 -45.4 94.02 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.798 0.295 . . . . 0.0 111.798 -179.476 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.595 ' HB2' ' O ' ' A' ' 37' ' ' PHE . 3.8 tp -60.56 -46.21 91.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.645 -179.289 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.505 HD22 ' O ' ' A' ' 38' ' ' PHE . 4.1 mm? -66.07 -42.81 88.91 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -179.445 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.98 -55.54 12.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.674 0.273 . . . . 0.0 111.233 -179.317 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 28.3 mm -65.6 -47.97 84.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.271 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -60.44 -53.19 47.58 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.944 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -62.35 -48.76 78.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.877 0.37 . . . . 0.0 110.964 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -64.88 -32.12 73.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.125 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.3 mtm180 -66.86 -52.33 44.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.512 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.2 t -72.98 -53.34 18.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.724 -179.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 26.4 t -64.96 -41.75 92.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.031 0.443 . . . . 0.0 110.269 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -73.43 -71.98 1.04 Allowed Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 115.733 -0.667 . . . . 0.0 113.868 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.0 mpt_? . . . . . 0 C--N 1.331 -0.23 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -178.304 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.164 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.439 HG21 ' N ' ' A' ' 17' ' ' ASN . 4.7 t -73.48 -30.09 62.93 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.693 0.282 . . . . 0.0 111.468 -179.393 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.439 ' N ' HG21 ' A' ' 16' ' ' THR . 80.5 m-20 -62.71 -57.24 11.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.793 0.33 . . . . 0.0 110.933 -179.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.77 -39.76 95.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 40.6 ttt180 -61.83 -50.9 70.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.896 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.03 -39.8 93.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.048 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.59 -54.45 42.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.1 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 43.3 t -62.51 -43.6 98.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.114 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.18 -50.84 72.1 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.757 0.313 . . . . 0.0 111.087 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -62.57 -42.81 99.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.11 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -63.16 -46.08 88.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.249 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.414 ' O ' ' HB2' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -67.74 -43.43 79.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.247 -179.759 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.458 ' O ' ' HA3' ' A' ' 31' ' ' GLY . 15.6 mtt -64.73 -56.17 15.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.017 -179.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -65.87 -50.93 62.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.818 0.342 . . . . 0.0 110.636 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.98 -74.1 0.38 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.644 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.436 ' O ' ' HA3' ' A' ' 34' ' ' GLY . . . -59.04 -29.11 67.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.795 0.298 . . . . 0.0 111.085 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.458 ' HA3' ' O ' ' A' ' 27' ' ' MET . . . -62.77 -77.65 0.2 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.971 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.477 ' CG ' ' N ' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -74.42 -51.06 16.04 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 111.594 0.22 . . . . 0.0 111.594 -179.128 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.477 ' N ' ' CG ' ' A' ' 32' ' ' TRP . . . -57.79 -40.67 80.4 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 179.533 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.499 ' O ' ' HB2' ' A' ' 38' ' ' PHE . . . -65.18 -41.85 96.72 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.411 -0.9 . . . . 0.0 111.703 178.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -60.33 -46.4 94.36 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.298 -0.953 . . . . 0.0 112.036 179.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 37.9 t -68.19 -52.88 33.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.891 0.377 . . . . 0.0 111.254 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.536 ' O ' ' HB2' ' A' ' 41' ' ' LEU . 7.1 t80 -60.24 -59.4 5.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.079 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.706 ' O ' ' HB2' ' A' ' 42' ' ' LEU . 0.1 OUTLIER -63.74 -47.19 82.04 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.626 -179.811 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -61.75 -66.44 2.64 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.926 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 17.3 m -50.5 -56.16 12.82 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.689 0.281 . . . . 0.0 111.655 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.536 ' HB2' ' O ' ' A' ' 37' ' ' PHE . 6.2 tp -55.44 -39.28 70.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.532 -179.351 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.706 ' HB2' ' O ' ' A' ' 38' ' ' PHE . 0.2 OUTLIER -65.88 -42.01 90.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.639 0.256 . . . . 0.0 110.642 179.755 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.24 -51.92 52.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.108 -179.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.477 ' O ' ' HB2' ' A' ' 48' ' ' ARG . 0.8 OUTLIER -63.04 -44.61 99.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.612 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.95 -42.33 99.7 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.482 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.572 ' HB2' ' O ' ' A' ' 42' ' ' LEU . 0.1 OUTLIER -63.31 -49.26 74.68 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.962 0.41 . . . . 0.0 110.465 179.86 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -67.33 -29.82 69.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.728 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.573 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -66.76 -49.89 64.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.571 179.554 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.2 p -72.25 -50.47 35.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.46 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 41.5 t -67.23 -46.12 84.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.91 0.386 . . . . 0.0 110.751 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.07 -30.94 77.03 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.394 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.573 ' HB2' ' O ' ' A' ' 48' ' ' ARG . 9.9 mtp180 . . . . . 0 C--N 1.33 -0.244 0 CA-C-O 120.88 0.372 . . . . 0.0 110.643 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.605 ' O ' ' HB2' ' A' ' 19' ' ' ARG . 2.8 mptt . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.452 0.168 . . . . 0.0 111.353 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.0 m -72.87 -48.38 37.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.746 0.308 . . . . 0.0 111.293 -179.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -64.39 -48.61 74.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.949 0.404 . . . . 0.0 110.921 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.43 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -59.68 -43.23 94.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.219 -179.846 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.605 ' HB2' ' O ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -63.85 -51.73 63.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.559 -179.444 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 75.8 mt -61.81 -41.93 98.38 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.817 0.341 . . . . 0.0 110.765 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 4.0 t-105 -63.06 -51.4 66.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.421 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 19' ' ' ARG . 24.1 m -60.78 -48.3 89.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.523 -179.667 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.37 -42.21 91.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.142 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.69 -43.08 94.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.917 0.389 . . . . 0.0 110.633 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -64.8 -40.28 94.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.917 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.443 ' O ' ' HB1' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -65.65 -46.87 77.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.228 -179.828 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -53.04 36.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.377 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.479 ' O ' ' HD1' ' A' ' 32' ' ' TRP . 17.7 tttt -66.6 -57.18 7.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.214 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.526 ' HA2' ' CD1' ' A' ' 32' ' ' TRP . . . -59.84 -64.3 4.32 Favored Glycine 0 C--N 1.332 0.328 0 CA-C-N 115.978 -0.556 . . . . 0.0 113.364 -179.54 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.443 ' HB1' ' O ' ' A' ' 26' ' ' MET . . . -62.0 -38.14 87.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.816 0.341 . . . . 0.0 111.563 -179.392 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.63 -54.85 32.39 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.64 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.526 ' CD1' ' HA2' ' A' ' 29' ' ' GLY . 3.3 p-90 -62.22 -50.58 71.2 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 122.846 -0.208 . . . . 0.0 111.444 -179.551 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.466 ' N ' ' CG ' ' A' ' 32' ' ' TRP . . . -55.48 -50.93 68.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.838 0.351 . . . . 0.0 110.805 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.478 ' O ' ' HB2' ' A' ' 38' ' ' PHE . . . -63.08 -37.67 95.32 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.502 -0.856 . . . . 0.0 111.813 179.34 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.66 -52.32 49.54 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.388 -0.911 . . . . 0.0 112.38 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.463 HG21 ' O ' ' A' ' 32' ' ' TRP . 25.8 t -66.03 -48.72 80.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.698 0.285 . . . . 0.0 111.61 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.454 ' O ' ' HB2' ' A' ' 41' ' ' LEU . 5.7 m-85 -61.21 -48.44 81.52 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.003 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.478 ' HB2' ' O ' ' A' ' 34' ' ' GLY . 5.6 t80 -65.02 -47.93 75.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.834 0.349 . . . . 0.0 111.23 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -62.21 -55.42 27.91 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.765 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.439 ' O ' HG12 ' A' ' 44' ' ' ILE . 30.1 m -55.18 -41.5 72.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.676 0.274 . . . . 0.0 111.01 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.454 ' HB2' ' O ' ' A' ' 37' ' ' PHE . 0.7 OUTLIER -63.49 -35.73 81.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.847 0.356 . . . . 0.0 110.827 179.881 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.411 ' O ' ' HB2' ' A' ' 46' ' ' PHE . 1.6 tp -69.95 -45.32 67.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.132 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.85 -56.03 9.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.923 0.392 . . . . 0.0 111.146 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.509 ' O ' ' HG3' ' A' ' 48' ' ' ARG . 32.2 mm -63.53 -44.73 98.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.536 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.474 ' O ' HG11 ' A' ' 49' ' ' VAL . . . -61.82 -43.57 99.04 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.493 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.665 ' CE1' HG23 ' A' ' 50' ' ' VAL . 39.7 t80 -63.62 -50.15 70.5 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.778 0.323 . . . . 0.0 111.047 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.485 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 0.1 OUTLIER -64.2 -27.94 69.41 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.04 0.447 . . . . 0.0 110.623 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.509 ' HG3' ' O ' ' A' ' 44' ' ' ILE . 0.0 OUTLIER -69.99 -59.62 2.8 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.798 179.639 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.474 HG11 ' O ' ' A' ' 45' ' ' GLY . 9.2 p -75.38 -54.21 14.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.264 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.665 HG23 ' CE1' ' A' ' 46' ' ' PHE . 23.4 t -73.71 -47.53 43.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -179.633 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.485 ' HA3' ' O ' ' A' ' 47' ' ' PHE . . . -59.78 -6.52 5.13 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.29 -0.957 . . . . 0.0 112.497 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 . . . . . 0 C--N 1.332 -0.165 0 CA-C-O 121.283 0.563 . . . . 0.0 110.471 -179.921 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.2 mttp . . . . . 0 CA--C 1.529 0.155 0 CA-C-O 120.688 0.28 . . . . 0.0 111.266 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 68.7 p -72.4 -42.11 65.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.054 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.561 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 9.1 t-20 -64.54 -43.11 95.03 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.06 0.457 . . . . 0.0 110.737 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.44 ' O ' HG23 ' A' ' 22' ' ' VAL . 33.8 mt -67.69 -36.13 80.1 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.303 179.573 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -62.71 -52.56 62.78 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.131 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 17' ' ' ASN . 3.7 pp -61.2 -38.27 85.96 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.679 0.276 . . . . 0.0 110.677 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.406 ' O ' ' HB2' ' A' ' 25' ' ' GLN . 43.3 t-105 -60.75 -55.29 34.88 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.917 179.602 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.466 ' O ' ' HB2' ' A' ' 26' ' ' MET . 46.6 t -61.29 -45.39 98.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.34 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.1 -55.34 36.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.762 0.315 . . . . 0.0 111.657 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.91 -44.54 96.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.499 -179.395 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.406 ' HB2' ' O ' ' A' ' 21' ' ' TRP . 2.8 tp60 -63.37 -45.54 90.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.775 0.321 . . . . 0.0 111.212 -179.566 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.466 ' HB2' ' O ' ' A' ' 22' ' ' VAL . 2.4 tpt -66.13 -36.67 83.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.111 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.405 ' HB3' ' HE2' ' A' ' 27' ' ' MET . 77.4 mtp -65.01 -52.55 55.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.18 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.6 mtmm -65.89 -52.86 46.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.556 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.04 -66.89 2.31 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 121.016 -0.612 . . . . 0.0 113.689 -178.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.53 -42.85 97.31 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -178.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.0 -63.72 4.81 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.891 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -61.88 -60.09 4.16 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -179.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.29 -51.77 66.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.627 -179.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.17 -45.51 95.88 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.434 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -60.7 -53.0 48.99 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.67 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.534 ' O ' HG21 ' A' ' 40' ' ' THR . 19.4 t -65.32 -52.21 55.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 111.618 0.229 . . . . 0.0 111.618 -179.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -57.63 -58.1 9.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.559 -0.292 . . . . 0.0 111.42 -179.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -65.59 -35.91 82.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.759 0.314 . . . . 0.0 111.159 -179.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -62.79 -55.84 24.58 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.899 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.534 HG21 ' O ' ' A' ' 36' ' ' VAL . 14.6 t -66.92 -41.91 86.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.761 0.315 . . . . 0.0 111.344 -179.631 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.42 ' N ' HG23 ' A' ' 40' ' ' THR . 6.3 tp -57.78 -50.19 74.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.851 0.357 . . . . 0.0 111.161 -179.65 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.564 ' O ' ' HB2' ' A' ' 46' ' ' PHE . 1.7 tp -72.98 -44.79 60.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.512 -179.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 85.4 mt -68.18 -62.23 1.49 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.734 0.302 . . . . 0.0 111.491 -179.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.404 HG23 HD12 ' A' ' 44' ' ' ILE . 33.4 mm -64.05 -39.1 84.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.267 -179.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.2 -50.28 66.69 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.789 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.564 ' HB2' ' O ' ' A' ' 42' ' ' LEU . 0.3 OUTLIER -64.51 -46.2 83.97 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.661 0.267 . . . . 0.0 111.047 -179.744 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.99 -33.92 77.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.935 0.398 . . . . 0.0 110.581 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.804 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 22.6 ttp180 -67.64 -49.51 62.57 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.211 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.44 HG22 HG21 ' A' ' 50' ' ' VAL . 35.4 m -72.31 -50.81 33.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 121.125 -0.23 . . . . 0.0 111.386 -179.612 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.44 HG21 HG22 ' A' ' 49' ' ' VAL . 41.9 t -67.02 -50.66 62.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.785 0.326 . . . . 0.0 110.747 179.687 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.1 -21.6 61.79 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.789 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.804 ' HB2' ' O ' ' A' ' 48' ' ' ARG . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 N-CA-C 111.617 0.228 . . . . 0.0 111.617 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.92 ' HB2' ' HB2' ' A' ' 19' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.445 -0.682 0 CA-C-O 120.331 0.11 . . . . 0.0 110.85 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.625 ' H ' ' HG2' ' A' ' 15' ' ' LYS . 55.3 m 27.49 -96.13 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 179.219 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.532 ' O ' ' HB2' ' A' ' 21' ' ' TRP . 4.3 m-20 -66.35 -38.42 87.57 Favored 'General case' 0 N--CA 1.462 0.134 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -179.023 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.522 ' O ' HG22 ' A' ' 22' ' ' VAL . 1.1 tt -62.99 -54.83 32.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.792 0.329 . . . . 0.0 110.986 -179.626 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.92 ' HB2' ' HB2' ' A' ' 15' ' ' LYS . 15.4 tpt85 -59.87 -46.09 90.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.052 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.559 ' HG ' ' CD2' ' A' ' 24' ' ' PHE . 6.3 tp -63.58 -41.36 98.38 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.471 -179.452 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.532 ' HB2' ' O ' ' A' ' 17' ' ' ASN . 0.1 OUTLIER -62.54 -51.52 67.06 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.804 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.522 HG22 ' O ' ' A' ' 18' ' ' LEU . 40.9 t -60.72 -50.37 80.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.49 -179.626 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.58 -53.02 62.89 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -179.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.559 ' CD2' ' HG ' ' A' ' 20' ' ' LEU . 8.1 m-85 -63.53 -49.91 71.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.854 -179.133 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.438 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 26.8 tt0 -61.22 -44.53 97.13 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.575 -179.014 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.457 ' O ' ' HB1' ' A' ' 30' ' ' ALA . 4.6 tmm? -66.62 -54.21 25.78 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.744 0.306 . . . . 0.0 111.327 -179.737 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -67.44 -64.36 0.87 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -179.202 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.0 tttm -65.45 -42.71 92.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.289 -0.414 . . . . 0.0 112.046 -178.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.438 ' HA3' ' O ' ' A' ' 25' ' ' GLN . . . -61.22 -67.52 2.08 Favored Glycine 0 N--CA 1.454 -0.151 0 C-N-CA 120.48 -0.867 . . . . 0.0 112.535 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.457 ' HB1' ' O ' ' A' ' 26' ' ' MET . . . -62.73 -35.36 79.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.806 0.336 . . . . 0.0 111.044 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.99 -65.31 3.39 Favored Glycine 0 C--N 1.331 0.275 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.968 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 43.3 t90 -61.31 -54.28 45.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.756 0.312 . . . . 0.0 111.126 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.727 ' O ' ' HB2' ' A' ' 37' ' ' PHE . . . -55.85 -70.13 0.12 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.373 -179.38 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.738 ' O ' ' HB2' ' A' ' 38' ' ' PHE . . . -59.04 -39.07 93.85 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.385 -0.912 . . . . 0.0 112.404 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.42 -67.33 2.16 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.774 -0.727 . . . . 0.0 113.315 -179.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.5 t -63.23 -47.86 90.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 -178.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.727 ' HB2' ' O ' ' A' ' 33' ' ' ALA . 0.1 OUTLIER -58.95 -54.7 44.14 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 111.634 0.235 . . . . 0.0 111.634 -179.123 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.738 ' HB2' ' O ' ' A' ' 34' ' ' GLY . 9.3 m-85 -65.42 -39.23 91.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.68 0.276 . . . . 0.0 110.722 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.81 -61.28 7.38 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.401 -0.904 . . . . 0.0 112.123 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.486 ' O ' HG12 ' A' ' 44' ' ' ILE . 3.1 m -56.94 -52.89 63.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.68 0.276 . . . . 0.0 110.889 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.1 tp -52.44 -53.72 41.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.432 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.539 ' HB2' ' O ' ' A' ' 38' ' ' PHE . 1.1 tp -62.16 -34.71 76.92 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.835 0.35 . . . . 0.0 110.926 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.618 ' O ' ' HB2' ' A' ' 47' ' ' PHE . 2.5 mp -66.35 -50.73 62.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.59 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.486 HG12 ' O ' ' A' ' 40' ' ' THR . 43.0 mm -62.64 -37.04 77.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.871 0.367 . . . . 0.0 110.809 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.648 ' O ' ' HG2' ' A' ' 48' ' ' ARG . . . -64.92 -56.32 17.02 Favored Glycine 0 CA--C 1.519 0.316 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.609 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.465 ' O ' HG23 ' A' ' 49' ' ' VAL . 1.0 OUTLIER -65.85 -39.73 91.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.851 0.357 . . . . 0.0 111.219 -179.67 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.618 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 6.4 m-85 -69.72 -38.02 76.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.635 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.648 ' HG2' ' O ' ' A' ' 45' ' ' GLY . 4.6 ptm180 -68.0 -40.89 82.95 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 121.176 -0.21 . . . . 0.0 110.835 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 46' ' ' PHE . 1.8 m -71.43 -58.03 6.13 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.245 179.666 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 42.2 t -67.42 -35.82 74.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.244 0.545 . . . . 0.0 110.941 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.447 ' HA3' ' O ' ' A' ' 47' ' ' PHE . . . -67.95 -32.85 78.01 Favored Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.319 -0.855 . . . . 0.0 112.48 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.444 0 CA-C-O 120.71 0.29 . . . . 0.0 111.318 -179.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 120.8 0.333 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -161.33 -72.05 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.056 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.7 tttp -92.0 -37.8 12.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.095 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.3 m -69.66 115.56 9.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.855 -179.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 30.2 mm 46.73 55.39 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.564 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -156.75 -75.06 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.162 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 72.64 -76.36 0.07 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.116 -179.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.567 ' O ' ' HB2' ' A' ' 9' ' ' HIS . 0.6 OUTLIER 60.66 145.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.415 179.329 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.567 ' HB2' ' O ' ' A' ' 8' ' ' ASP . 11.0 m80 75.72 155.06 0.16 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.745 -0.662 . . . . 0.0 111.679 179.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 mp -73.25 -31.08 63.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.396 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 60.08 32.76 21.12 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.598 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 68.09 -66.45 0.22 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.618 -179.683 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.419 ' HB3' ' OG1' ' A' ' 16' ' ' THR . 1.1 t-20 54.62 93.52 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.428 179.477 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -54.32 -42.72 65.11 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.469 2.113 . . . . 0.0 112.049 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.648 ' O ' ' HD3' ' A' ' 19' ' ' ARG . 6.7 tttp -56.14 -40.58 74.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.753 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.419 ' OG1' ' HB3' ' A' ' 13' ' ' ASN . 2.7 m -70.72 -42.11 71.01 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.895 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -65.62 -40.92 93.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.858 0.361 . . . . 0.0 110.72 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.5 tt -61.79 -46.67 88.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.82 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.648 ' HD3' ' O ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -63.56 -40.63 97.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.553 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.66 -46.31 86.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.032 0.444 . . . . 0.0 110.562 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 13.6 t-105 -61.42 -54.42 43.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.06 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.9 t -61.73 -40.33 86.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.073 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.79 -49.08 78.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.046 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -64.55 -45.6 86.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -61.14 -46.37 90.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.939 -179.503 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.587 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 6.1 mmm -67.34 -48.02 68.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.327 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.7 mtp -63.73 -61.39 2.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.647 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.28 -43.22 95.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.873 0.368 . . . . 0.0 110.838 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.82 -66.08 2.71 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.881 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.587 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . -62.45 -48.41 79.78 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -179.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.77 -69.94 1.13 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.59 -0.815 . . . . 0.0 113.087 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -57.05 -64.66 0.81 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -179.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.99 -65.14 0.65 Allowed 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -178.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.491 ' O ' ' HB2' ' A' ' 38' ' ' PHE . . . -61.19 -41.89 99.62 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.552 -0.832 . . . . 0.0 112.995 -179.361 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -60.75 -60.39 8.54 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.531 -0.842 . . . . 0.0 113.027 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.0 t -63.31 -52.13 62.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -179.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.792 ' O ' ' HB2' ' A' ' 41' ' ' LEU . 1.7 t80 -59.84 -64.99 0.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.475 -179.249 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.519 ' O ' ' HB2' ' A' ' 42' ' ' LEU . 0.1 OUTLIER -64.31 -45.31 88.49 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.523 0.201 . . . . 0.0 111.368 -179.42 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.84 -62.63 5.88 Favored Glycine 0 CA--C 1.52 0.37 0 C-N-CA 120.755 -0.736 . . . . 0.0 113.467 -179.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.591 HG21 HG12 ' A' ' 44' ' ' ILE . 2.4 m -59.99 -57.43 12.88 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 -179.241 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.792 ' HB2' ' O ' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -48.33 -44.41 34.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.59 -179.446 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.519 ' HB2' ' O ' ' A' ' 38' ' ' PHE . 6.5 mp -68.79 -46.91 67.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.706 0.289 . . . . 0.0 111.356 -179.648 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.512 ' O ' ' HB2' ' A' ' 47' ' ' PHE . 0.4 OUTLIER -65.87 -68.02 0.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.136 -179.398 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.796 ' O ' ' HB2' ' A' ' 48' ' ' ARG . 1.4 pt -64.54 -35.07 73.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -179.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.472 ' HA3' ' O ' ' A' ' 41' ' ' LEU . . . -63.5 -57.69 13.96 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.333 -0.937 . . . . 0.0 112.901 -179.7 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.654 ' CE1' HG21 ' A' ' 50' ' ' VAL . 27.4 t80 -65.72 -41.94 91.68 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -179.286 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.512 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -66.82 -43.15 84.53 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 121.053 -0.259 . . . . 0.0 111.264 -179.635 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.796 ' HB2' ' O ' ' A' ' 44' ' ' ILE . 2.1 mtp85 -67.42 -38.7 85.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.588 0.232 . . . . 0.0 111.556 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.43 HG13 HG22 ' A' ' 50' ' ' VAL . 10.2 p -71.63 -51.1 34.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 120.84 -0.344 . . . . 0.0 111.658 -179.128 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.654 HG21 ' CE1' ' A' ' 46' ' ' PHE . 21.8 t -71.09 -42.21 76.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.93 0.395 . . . . 0.0 111.658 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -65.97 -57.51 10.68 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 121.114 -0.565 . . . . 0.0 113.013 -179.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.522 ' HB2' ' O ' ' A' ' 48' ' ' ARG . 0.5 OUTLIER -79.81 -20.47 46.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.562 0.22 . . . . 0.0 111.432 -179.457 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 64.6 34.92 9.5 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.315 0.579 . . . . 0.0 109.621 -179.01 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.494 ' N ' ' HD2' ' A' ' 55' ' ' PRO . 14.2 tp -42.71 -56.36 6.05 Favored Pre-proline 0 CA--C 1.532 0.262 0 CA-C-N 115.287 -0.869 . . . . 0.0 112.547 -179.361 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 9.2 Cg_endo -53.36 94.59 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.387 2.058 . . . . 0.0 113.004 -179.243 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.48 ' O ' ' HB2' ' A' ' 57' ' ' GLN . 21.9 mt 64.12 160.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.055 178.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.624 ' O ' ' HB2' ' A' ' 58' ' ' GLU . 74.7 mt-30 71.14 -79.22 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.992 179.285 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.624 ' HB2' ' O ' ' A' ' 57' ' ' GLN . 69.6 mt-10 79.71 -79.61 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.72 -179.356 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -154.42 -43.2 0.09 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.389 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -147.6 -130.68 0.06 Allowed 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.459 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -164.15 122.3 1.21 Allowed Pre-proline 0 N--CA 1.453 -0.282 0 O-C-N 122.357 -0.214 . . . . 0.0 110.436 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -50.29 -15.79 1.61 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.456 2.104 . . . . 0.0 112.816 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.44 144.25 97.67 Favored Pre-proline 0 C--N 1.333 -0.139 0 CA-C-O 120.69 0.281 . . . . 0.0 111.08 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_exo -43.03 -30.41 1.92 Allowed 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.907 2.405 . . . . 0.0 112.817 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.413 ' O ' ' HB ' ' A' ' 66' ' ' ILE . 1.7 m-80 65.81 -77.0 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.82 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.413 ' HB ' ' O ' ' A' ' 65' ' ' ASN . 2.6 mp 75.09 -53.76 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.96 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.0 t -175.39 46.59 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.862 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.85 -116.34 5.55 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.625 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -175.97 -51.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.734 0.302 . . . . 0.0 111.009 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.53 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 0.6 OUTLIER -173.3 106.41 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.163 0.506 . . . . 0.0 111.085 179.742 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.79 -38.46 83.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.2 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -170.8 44.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.9 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 2.9 m80 59.98 105.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.982 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 33.2 p-80 -123.9 173.65 8.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.922 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -152.94 102.74 2.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.743 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -84.19 -25.67 29.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.254 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.883 -179.907 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.863 0.363 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -68.91 -40.98 78.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.029 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt 62.23 -85.31 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.819 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.447 ' O ' HG21 ' A' ' 5' ' ' ILE . 0.2 OUTLIER -74.64 -161.36 0.13 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.84 -0.164 . . . . 0.0 110.709 179.801 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.447 HG21 ' O ' ' A' ' 4' ' ' THR . 1.5 tt 38.43 33.14 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 120.904 0.383 . . . . 0.0 111.511 -179.547 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 32.9 p90 -86.76 -59.79 2.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.515 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.538 ' O ' ' HB2' ' A' ' 8' ' ' ASP . 0.6 OUTLIER 77.38 -50.77 0.54 Allowed 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.821 -0.172 . . . . 0.0 111.462 179.817 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.569 ' O ' ' HB2' ' A' ' 9' ' ' HIS . 54.5 m-20 86.64 107.56 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 122.982 0.513 . . . . 0.0 110.892 -179.577 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.569 ' HB2' ' O ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER 84.89 -23.32 0.17 Allowed 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.512 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.437 ' HB2' ' O ' ' A' ' 9' ' ' HIS . 0.2 OUTLIER 82.23 -9.25 1.2 Allowed 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 122.418 0.287 . . . . 0.0 111.33 -179.632 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.621 ' O ' HG23 ' A' ' 12' ' ' THR . 5.3 t-20 59.71 148.53 0.01 OUTLIER 'General case' 0 C--O 1.227 -0.13 0 CA-C-O 120.616 0.246 . . . . 0.0 110.92 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.621 HG23 ' O ' ' A' ' 11' ' ' ASN . 0.5 OUTLIER 66.96 -16.94 0.13 Allowed 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 179.789 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.492 ' H ' ' C ' ' A' ' 11' ' ' ASN . 2.4 m-80 39.78 73.15 0.87 Allowed Pre-proline 0 N--CA 1.465 0.288 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -81.87 -47.29 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.714 2.276 . . . . 0.0 112.778 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.3 tttt -62.14 -39.84 93.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.379 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.4 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 0.7 OUTLIER -71.08 -43.17 68.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.156 -179.569 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -64.41 -50.24 68.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.815 0.341 . . . . 0.0 110.96 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 tt -59.45 -49.56 77.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.292 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.91 -50.07 73.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.073 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.519 ' O ' ' HB2' ' A' ' 24' ' ' PHE . 2.6 tp -59.93 -39.59 86.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.811 0.339 . . . . 0.0 110.793 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.479 ' O ' ' HB2' ' A' ' 25' ' ' GLN . 0.7 OUTLIER -60.59 -59.35 5.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.072 -179.897 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.0 t -60.04 -46.36 94.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.686 -179.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.1 -55.04 38.84 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -179.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.519 ' HB2' ' O ' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -62.42 -40.63 97.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.653 0.263 . . . . 0.0 111.376 -179.424 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.479 ' HB2' ' O ' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -63.19 -54.56 35.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.477 -179.512 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.5 ttt -67.49 -51.47 50.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.743 -179.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.64 -65.14 0.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -179.007 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.401 ' HD2' ' CD2' ' A' ' 24' ' ' PHE . 0.6 OUTLIER -64.29 -38.21 90.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.444 -179.169 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.512 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . -61.6 -66.56 2.57 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.418 -0.896 . . . . 0.0 112.379 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.441 ' O ' ' HA3' ' A' ' 34' ' ' GLY . . . -58.63 -39.01 79.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.933 0.397 . . . . 0.0 110.757 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.88 -77.76 0.23 Allowed Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.764 -0.731 . . . . 0.0 113.065 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 14.5 t90 -57.03 -67.15 0.34 Allowed 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -178.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.512 ' HB3' ' O ' ' A' ' 29' ' ' GLY . . . -54.37 -37.13 64.63 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.664 0.268 . . . . 0.0 111.035 -178.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.441 ' HA3' ' O ' ' A' ' 30' ' ' ALA . . . -61.56 -51.14 59.67 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.091 -1.052 . . . . 0.0 111.863 179.203 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.14 -59.19 9.36 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.983 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.4 t -60.65 -53.72 45.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -179.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.615 ' O ' ' HB2' ' A' ' 41' ' ' LEU . 20.6 t80 -59.14 -67.01 0.41 Allowed 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.64 0.237 . . . . 0.0 111.64 -178.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.667 ' O ' ' HB2' ' A' ' 42' ' ' LEU . 93.9 m-85 -63.3 -44.55 94.69 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.922 -0.311 . . . . 0.0 111.191 -179.455 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.5 -59.71 10.11 Favored Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.38 -0.914 . . . . 0.0 112.933 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 28.7 m -60.17 -49.77 76.3 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.615 ' HB2' ' O ' ' A' ' 37' ' ' PHE . 2.5 tp -60.08 -44.6 94.67 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.674 0.25 . . . . 0.0 111.674 -179.31 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.667 ' HB2' ' O ' ' A' ' 38' ' ' PHE . 0.7 OUTLIER -64.94 -39.49 93.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.644 0.259 . . . . 0.0 111.053 -179.686 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.401 ' HA ' HD12 ' A' ' 43' ' ' LEU . 3.7 mm? -68.47 -52.77 28.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.201 -179.579 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.586 ' O ' ' HB2' ' A' ' 48' ' ' ARG . 1.9 pp -64.66 -44.04 96.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.315 -179.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.71 -51.31 58.29 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.915 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.5 ' O ' ' HB ' ' A' ' 50' ' ' VAL . 3.4 m-85 -63.35 -52.39 61.97 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.723 0.296 . . . . 0.0 111.632 -179.374 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.405 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 11.5 m-85 -64.02 -51.23 65.18 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -178.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.586 ' HB2' ' O ' ' A' ' 44' ' ' ILE . 11.1 mtt180 -69.06 -52.39 29.0 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -179.341 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 15.3 t -73.43 -64.59 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -178.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.5 ' HB ' ' O ' ' A' ' 46' ' ' PHE . 19.0 t -65.72 -43.9 93.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.61 0.243 . . . . 0.0 111.572 -179.293 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.527 ' O ' ' HG3' ' A' ' 55' ' ' PRO . . . -62.56 -40.13 98.74 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.479 -0.867 . . . . 0.0 112.85 -179.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.401 ' HB2' ' O ' ' A' ' 48' ' ' ARG . 6.0 ttp-105 -85.71 -34.35 21.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 122.626 -0.338 . . . . 0.0 111.441 -179.676 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 1.5 ttm -80.76 -56.93 3.81 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -179.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -159.95 90.1 1.84 Allowed Pre-proline 0 C--N 1.33 -0.253 0 N-CA-C 111.641 0.237 . . . . 0.0 111.641 -179.468 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.527 ' HG3' ' O ' ' A' ' 51' ' ' GLY . 26.4 Cg_exo -61.45 90.62 0.1 Allowed 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.433 2.089 . . . . 0.0 111.957 179.51 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 6.7 mm 56.11 35.2 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.835 0.35 . . . . 0.0 110.807 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 38.63 42.22 0.57 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.497 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 48.4 83.09 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.402 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -86.05 -50.24 7.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.78 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.4 122.13 30.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.819 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.403 ' N ' ' HD3' ' A' ' 62' ' ' PRO . . . -165.86 61.84 0.75 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.01 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.403 ' HD3' ' N ' ' A' ' 61' ' ' ALA . 52.3 Cg_exo -52.73 -48.82 19.99 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.625 2.217 . . . . 0.0 112.77 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 49.13 79.37 0.35 Allowed Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 120.816 0.341 . . . . 0.0 111.109 -179.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -52.88 -34.62 66.89 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.745 2.297 . . . . 0.0 112.178 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.497 ' O ' ' CG2' ' A' ' 66' ' ' ILE . 3.1 t-20 -84.64 -54.11 4.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.337 179.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.497 ' CG2' ' O ' ' A' ' 65' ' ' ASN . 0.9 OUTLIER 85.73 -25.05 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.692 179.809 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.407 ' CB ' ' O ' ' A' ' 66' ' ' ILE . 2.3 p 85.41 -61.75 0.07 Allowed 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 122.964 0.506 . . . . 0.0 110.959 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.54 -175.85 29.52 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.151 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.485 ' O ' ' CB ' ' A' ' 70' ' ' LEU . . . -176.92 79.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.543 0.211 . . . . 0.0 111.092 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.485 ' CB ' ' O ' ' A' ' 69' ' ' ALA . 1.5 mt 91.52 -20.14 0.12 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.41 179.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -67.32 -13.98 62.5 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.211 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -86.41 89.94 8.04 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.744 0.307 . . . . 0.0 111.223 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -92.81 90.38 7.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.646 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 18.8 t-160 -139.93 -59.84 0.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.064 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 61.4 97.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.746 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.71 -35.68 81.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.017 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.504 ' O ' HD13 ' A' ' 5' ' ' ILE . . . . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 121.023 0.439 . . . . 0.0 111.733 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 64.51 9.58 5.15 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 179.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.97 41.67 27.37 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 111.649 0.241 . . . . 0.0 111.649 179.255 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.537 ' O ' HG13 ' A' ' 5' ' ' ILE . 0.1 OUTLIER -164.96 94.73 0.67 Allowed 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 120.679 0.276 . . . . 0.0 111.561 179.715 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.537 HG13 ' O ' ' A' ' 4' ' ' THR . 3.4 mp -156.1 27.46 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.418 ' O ' ' HB2' ' A' ' 7' ' ' ASN . 11.1 t80 -155.03 92.39 1.44 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.785 0.326 . . . . 0.0 110.68 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.418 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 89.3 m-20 67.23 167.6 0.24 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.865 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.5 t70 75.66 110.06 0.07 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.579 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 79.26 -62.96 0.28 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.283 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 97.0 mt 62.02 100.65 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.256 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -76.82 -51.5 11.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.388 179.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.6 p -85.13 134.34 34.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.597 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.51 ' HA ' HG23 ' A' ' 16' ' ' THR . 20.3 m-20 64.21 59.56 1.64 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.145 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.435 ' HD3' ' N ' ' A' ' 13' ' ' ASN . 52.2 Cg_exo -54.56 -42.16 70.68 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.227 1.951 . . . . 0.0 111.675 179.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.79 ' HB2' ' HB2' ' A' ' 19' ' ' ARG . 55.3 mmtt -145.27 -39.42 0.25 Allowed 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.015 -179.563 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.51 HG23 ' HA ' ' A' ' 13' ' ' ASN . 82.0 p 36.91 -95.72 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.501 ' HA ' HD21 ' A' ' 20' ' ' LEU . 30.3 m120 -62.93 -42.68 99.88 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 120.732 0.301 . . . . 0.0 110.617 -179.492 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.9 mt -66.58 -35.35 79.99 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.132 179.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.79 ' HB2' ' HB2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -61.77 -64.47 0.93 Allowed 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.272 0.558 . . . . 0.0 110.716 179.542 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.501 HD21 ' HA ' ' A' ' 17' ' ' ASN . 3.5 pp -59.68 -31.75 69.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.171 -179.24 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.462 ' HB2' ' O ' ' A' ' 17' ' ' ASN . 13.3 t90 -61.59 -61.9 2.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.702 0.287 . . . . 0.0 110.986 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.4 t -63.08 -46.43 96.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.52 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.497 ' O ' ' HB2' ' A' ' 27' ' ' MET . . . -56.92 -56.06 26.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.86 0.362 . . . . 0.0 111.221 -179.648 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.677 ' O ' ' HB3' ' A' ' 28' ' ' LYS . 6.4 m-85 -61.3 -35.9 78.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.93 0.395 . . . . 0.0 110.941 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -60.53 -63.87 1.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.064 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.438 ' O ' ' HB2' ' A' ' 30' ' ' ALA . 21.2 mmt -69.1 -53.91 17.79 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -179.468 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.497 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -65.88 -64.87 0.76 Allowed 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -178.526 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.677 ' HB3' ' O ' ' A' ' 24' ' ' PHE . 7.8 tttp -63.67 -38.1 89.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.823 -0.171 . . . . 0.0 111.121 -178.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.8 -66.54 2.57 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.497 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.438 ' HB2' ' O ' ' A' ' 26' ' ' MET . . . -61.18 -42.83 99.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.86 0.362 . . . . 0.0 110.566 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.46 ' O ' ' HA3' ' A' ' 35' ' ' GLY . . . -59.73 -37.76 92.87 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.573 -0.822 . . . . 0.0 111.903 179.482 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.599 ' HB3' ' O ' ' A' ' 28' ' ' LYS . 0.4 OUTLIER -62.67 -66.16 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.788 0.328 . . . . 0.0 110.501 179.629 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.482 ' N ' ' CG ' ' A' ' 32' ' ' TRP . . . -58.9 -61.45 2.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.0 0.429 . . . . 0.0 110.98 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.442 ' O ' ' HB2' ' A' ' 38' ' ' PHE . . . -59.07 -44.16 96.5 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.685 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.46 ' HA3' ' O ' ' A' ' 31' ' ' GLY . . . -59.36 -52.85 50.74 Favored Glycine 0 CA--C 1.517 0.215 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.997 -179.562 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.444 HG21 ' O ' ' A' ' 32' ' ' TRP . 51.0 t -66.76 -47.54 82.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.654 0.264 . . . . 0.0 111.297 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.595 ' O ' ' HB2' ' A' ' 41' ' ' LEU . 15.0 m-85 -60.11 -62.23 2.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.96 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.505 ' O ' HD22 ' A' ' 42' ' ' LEU . 6.4 m-85 -64.23 -38.7 91.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.754 0.311 . . . . 0.0 111.123 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.5 -63.82 4.78 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.35 -0.929 . . . . 0.0 112.965 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.434 HG22 HG13 ' A' ' 36' ' ' VAL . 22.4 p -60.54 -45.4 94.02 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.798 0.295 . . . . 0.0 111.798 -179.476 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.595 ' HB2' ' O ' ' A' ' 37' ' ' PHE . 3.8 tp -60.56 -46.21 91.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.645 -179.289 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.505 HD22 ' O ' ' A' ' 38' ' ' PHE . 4.1 mm? -66.07 -42.81 88.91 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -179.445 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.98 -55.54 12.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.674 0.273 . . . . 0.0 111.233 -179.317 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 28.3 mm -65.6 -47.97 84.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.271 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -60.44 -53.19 47.58 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.944 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -62.35 -48.76 78.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.877 0.37 . . . . 0.0 110.964 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -64.88 -32.12 73.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.125 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.3 mtm180 -66.86 -52.33 44.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.512 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.625 ' O ' ' HA ' ' A' ' 53' ' ' MET . 17.2 t -72.98 -53.34 18.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.724 -179.197 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 26.4 t -64.96 -41.75 92.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.031 0.443 . . . . 0.0 110.269 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -73.43 -71.98 1.04 Allowed Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 115.733 -0.667 . . . . 0.0 113.868 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.428 ' HB3' ' HD3' ' A' ' 55' ' ' PRO . 6.0 mpt_? -84.57 -26.63 27.85 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -178.304 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.625 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 13.1 tpt 74.52 41.06 0.37 Allowed 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.068 0.461 . . . . 0.0 110.097 -178.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 60.35 80.17 0.27 Allowed Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.45 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.428 ' HD3' ' HB3' ' A' ' 52' ' ' ARG . 58.3 Cg_endo -76.11 -32.6 4.08 Favored 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 122.628 2.219 . . . . 0.0 112.193 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 8.2 pt -80.41 -35.16 15.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.086 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.431 ' O ' ' CB ' ' A' ' 58' ' ' GLU . 0.0 OUTLIER 67.65 37.53 3.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.431 ' CB ' ' O ' ' A' ' 57' ' ' GLN . 0.1 OUTLIER 83.31 172.67 0.09 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.026 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -86.94 -39.4 15.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.247 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -89.91 -100.74 0.1 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.223 -179.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 58.63 161.37 0.09 OUTLIER Pre-proline 0 C--O 1.232 0.133 0 CA-C-O 120.833 0.349 . . . . 0.0 110.967 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.47 ' O ' ' CB ' ' A' ' 63' ' ' ALA . 54.3 Cg_exo -52.79 -22.21 17.15 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.537 2.158 . . . . 0.0 112.338 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 62' ' ' PRO . . . 87.88 104.73 0.03 OUTLIER Pre-proline 0 N--CA 1.466 0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -74.99 -167.04 0.38 Allowed 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.561 2.174 . . . . 0.0 112.609 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 58.68 35.38 24.41 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.507 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.568 HG13 ' H ' ' A' ' 67' ' ' THR . 3.7 pt -74.25 -52.71 19.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.332 -179.536 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.568 ' H ' HG13 ' A' ' 66' ' ' ILE . 0.2 OUTLIER 77.27 -5.86 2.1 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.254 -179.879 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -176.62 144.14 6.75 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.934 -0.65 . . . . 0.0 112.079 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -176.72 -35.68 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.82 0.343 . . . . 0.0 111.078 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.0 tt -63.95 -48.9 74.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.67 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -174.56 157.76 2.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.949 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -125.02 121.0 33.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.802 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -169.81 -68.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.115 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -77.45 177.08 8.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 62.37 18.94 10.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.134 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -169.37 61.77 0.05 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.921 0.391 . . . . 0.0 110.825 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.211 -0.899 . . . . 0.0 110.965 -179.945 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.869 0.366 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -60.52 -31.29 70.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.22 116.98 2.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.998 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -167.73 -41.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.366 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.9 pt 34.81 -125.19 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.683 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 67.14 -84.42 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.167 0 O-C-N 122.256 -0.278 . . . . 0.0 111.067 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 -73.95 -34.33 64.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.787 0.327 . . . . 0.0 111.067 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.539 ' O ' ' HB2' ' A' ' 9' ' ' HIS . 0.3 OUTLIER -70.37 -50.86 34.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.056 -179.742 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.539 ' HB2' ' O ' ' A' ' 8' ' ' ASP . 87.4 m-70 79.95 -178.11 0.08 Allowed 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.856 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 22.9 mt 75.68 94.46 0.07 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 15.0 p-10 -69.19 -28.6 66.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.929 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 61.5 m 61.34 -103.4 0.14 Allowed 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.062 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.684 ' HB3' HG22 ' A' ' 16' ' ' THR . 0.2 OUTLIER 39.09 95.51 0.04 OUTLIER Pre-proline 0 N--CA 1.467 0.402 0 CA-C-O 120.88 0.371 . . . . 0.0 111.575 -179.844 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -51.5 -41.36 60.64 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.723 2.282 . . . . 0.0 112.915 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.2 -48.48 68.05 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.333 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.684 HG22 ' HB3' ' A' ' 13' ' ' ASN . 4.7 t -73.48 -30.09 62.93 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.693 0.282 . . . . 0.0 111.468 -179.393 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.439 ' N ' HG21 ' A' ' 16' ' ' THR . 80.5 m-20 -62.71 -57.24 11.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.793 0.33 . . . . 0.0 110.933 -179.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.77 -39.76 95.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 40.6 ttt180 -61.83 -50.9 70.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.896 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.03 -39.8 93.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.048 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.59 -54.45 42.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.1 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 43.3 t -62.51 -43.6 98.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.114 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.18 -50.84 72.1 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.757 0.313 . . . . 0.0 111.087 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -62.57 -42.81 99.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.11 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -63.16 -46.08 88.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.249 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.414 ' O ' ' HB2' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -67.74 -43.43 79.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.247 -179.759 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.458 ' O ' ' HA3' ' A' ' 31' ' ' GLY . 15.6 mtt -64.73 -56.17 15.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.017 -179.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -65.87 -50.93 62.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.818 0.342 . . . . 0.0 110.636 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.98 -74.1 0.38 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.644 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.436 ' O ' ' HA3' ' A' ' 34' ' ' GLY . . . -59.04 -29.11 67.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.795 0.298 . . . . 0.0 111.085 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.458 ' HA3' ' O ' ' A' ' 27' ' ' MET . . . -62.77 -77.65 0.2 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.971 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.477 ' CG ' ' N ' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -74.42 -51.06 16.04 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 111.594 0.22 . . . . 0.0 111.594 -179.128 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.477 ' N ' ' CG ' ' A' ' 32' ' ' TRP . . . -57.79 -40.67 80.4 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 179.533 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.499 ' O ' ' HB2' ' A' ' 38' ' ' PHE . . . -65.18 -41.85 96.72 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.411 -0.9 . . . . 0.0 111.703 178.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -60.33 -46.4 94.36 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.298 -0.953 . . . . 0.0 112.036 179.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 37.9 t -68.19 -52.88 33.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.891 0.377 . . . . 0.0 111.254 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.536 ' O ' ' HB2' ' A' ' 41' ' ' LEU . 7.1 t80 -60.24 -59.4 5.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.079 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.706 ' O ' ' HB2' ' A' ' 42' ' ' LEU . 0.1 OUTLIER -63.74 -47.19 82.04 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.626 -179.811 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -61.75 -66.44 2.64 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.926 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 17.3 m -50.5 -56.16 12.82 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.689 0.281 . . . . 0.0 111.655 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.536 ' HB2' ' O ' ' A' ' 37' ' ' PHE . 6.2 tp -55.44 -39.28 70.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.532 -179.351 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.706 ' HB2' ' O ' ' A' ' 38' ' ' PHE . 0.2 OUTLIER -65.88 -42.01 90.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.639 0.256 . . . . 0.0 110.642 179.755 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.24 -51.92 52.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.108 -179.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.477 ' O ' ' HB2' ' A' ' 48' ' ' ARG . 0.8 OUTLIER -63.04 -44.61 99.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.612 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.95 -42.33 99.7 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.482 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.572 ' HB2' ' O ' ' A' ' 42' ' ' LEU . 0.1 OUTLIER -63.31 -49.26 74.68 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.962 0.41 . . . . 0.0 110.465 179.86 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -67.33 -29.82 69.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.728 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.573 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -66.76 -49.89 64.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.571 179.554 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.2 p -72.25 -50.47 35.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.46 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 41.5 t -67.23 -46.12 84.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.91 0.386 . . . . 0.0 110.751 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.07 -30.94 77.03 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.394 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.573 ' HB2' ' O ' ' A' ' 48' ' ' ARG . 9.9 mtp180 -80.72 -27.12 37.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.88 0.372 . . . . 0.0 110.643 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -76.79 -27.89 55.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.992 -179.65 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.414 ' N ' ' HD2' ' A' ' 55' ' ' PRO . 12.8 mt -44.7 -59.57 3.91 Favored Pre-proline 0 CA--C 1.531 0.227 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.431 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.414 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 49.4 Cg_endo -69.26 81.39 0.69 Allowed 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.567 2.178 . . . . 0.0 112.328 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 10.1 tp -159.08 -25.5 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 CA-C-N 115.891 -0.595 . . . . 0.0 112.465 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -161.63 -31.06 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.538 0.208 . . . . 0.0 111.393 -179.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -17.16 63.0 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-O 120.689 0.28 . . . . 0.0 111.026 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -138.59 -6.01 1.54 Allowed 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.828 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.436 ' O ' ' CB ' ' A' ' 61' ' ' ALA . 6.3 mm100 -97.57 -163.09 1.01 Allowed 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 110.502 -0.184 . . . . 0.0 110.502 179.563 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.48 ' HB3' ' HD2' ' A' ' 64' ' ' PRO . . . 84.15 129.38 0.03 OUTLIER Pre-proline 0 N--CA 1.465 0.281 0 CA-C-O 120.718 0.294 . . . . 0.0 111.29 179.692 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.589 ' O ' ' HB ' ' A' ' 66' ' ' ILE . 35.1 Cg_endo -65.05 -16.36 54.9 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 123.262 2.641 . . . . 0.0 114.094 -179.047 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.435 ' CB ' ' CD ' ' A' ' 64' ' ' PRO . . . -73.98 -63.18 0.94 Allowed Pre-proline 0 C--N 1.327 -0.399 0 C-N-CA 120.771 -0.372 . . . . 0.0 111.468 -179.676 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.48 ' HD2' ' HB3' ' A' ' 61' ' ' ALA . 77.5 Cg_endo -75.25 132.15 14.79 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.244 2.629 . . . . 0.0 113.341 -179.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.1 m120 69.7 -43.71 0.54 Allowed 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.797 0.665 . . . . 0.0 112.797 178.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.589 ' HB ' ' O ' ' A' ' 62' ' ' PRO . 27.3 mm -70.09 -29.81 41.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -179.067 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -175.13 -93.92 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 111.735 0.272 . . . . 0.0 111.735 179.452 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.641 ' O ' ' HB2' ' A' ' 69' ' ' ALA . . . 97.24 -116.31 5.47 Favored Glycine 0 C--N 1.333 0.389 0 C-N-CA 120.561 -0.828 . . . . 0.0 112.192 -179.542 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.641 ' HB2' ' O ' ' A' ' 68' ' ' GLY . . . 84.01 116.66 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 122.858 0.463 . . . . 0.0 111.382 179.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.86 -42.55 85.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -173.43 -36.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.231 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -57.51 87.88 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.789 0.328 . . . . 0.0 111.043 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 58.8 m170 -90.75 173.61 7.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.763 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -118.52 37.44 4.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.039 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -72.37 -55.01 7.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.826 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.607 ' HB3' ' HD2' ' A' ' 77' ' ' HIS . 3.6 m-70 62.19 152.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.725 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.607 ' HD2' ' HB3' ' A' ' 76' ' ' HIS . 33.5 m-70 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.238 -0.886 . . . . 0.0 110.751 -179.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.468 ' O ' HD12 ' A' ' 5' ' ' ILE . . . . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 120.729 0.299 . . . . 0.0 111.097 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.411 ' HA ' ' CD1' ' A' ' 5' ' ' ILE . 0.6 OUTLIER -85.9 -29.37 23.7 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.004 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.62 -26.19 42.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.184 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.95 -46.54 57.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.814 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.468 HD12 ' O ' ' A' ' 1' ' ' ALA . 1.0 OUTLIER -73.67 -62.26 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.328 -179.794 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.553 ' O ' ' HB2' ' A' ' 7' ' ' ASN . 0.1 OUTLIER 59.09 -177.31 0.09 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.773 -179.606 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.553 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 17.2 m-80 75.29 -68.58 0.2 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.482 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.1 t70 54.28 34.56 20.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.954 -179.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.434 ' C ' ' H ' ' A' ' 11' ' ' ASN . 0.2 OUTLIER -69.45 -49.8 51.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.902 179.915 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 76.21 -34.13 0.23 Allowed 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.971 -179.363 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.434 ' H ' ' C ' ' A' ' 9' ' ' HIS . 36.3 t30 59.15 -152.05 0.41 Allowed 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.809 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.479 HG23 ' HD3' ' A' ' 15' ' ' LYS . 0.7 OUTLIER 63.37 27.78 15.39 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-O 120.842 0.353 . . . . 0.0 111.079 179.856 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.615 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.4 m120 -72.81 -51.3 6.7 Favored Pre-proline 0 CA--C 1.534 0.354 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.537 179.622 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.615 ' HD2' ' N ' ' A' ' 13' ' ' ASN . 9.9 Cg_endo -51.7 -24.28 17.45 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.753 2.302 . . . . 0.0 112.678 -179.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.605 ' O ' ' HB2' ' A' ' 19' ' ' ARG . 2.8 mptt -56.46 -27.43 56.86 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.353 -179.693 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.0 m -72.87 -48.38 37.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.746 0.308 . . . . 0.0 111.293 -179.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -64.39 -48.61 74.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.949 0.404 . . . . 0.0 110.921 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.43 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -59.68 -43.23 94.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.219 -179.846 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.605 ' HB2' ' O ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -63.85 -51.73 63.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.559 -179.444 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 75.8 mt -61.81 -41.93 98.38 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.817 0.341 . . . . 0.0 110.765 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 4.0 t-105 -63.06 -51.4 66.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.421 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 19' ' ' ARG . 24.1 m -60.78 -48.3 89.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.523 -179.667 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.37 -42.21 91.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.142 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.69 -43.08 94.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.917 0.389 . . . . 0.0 110.633 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -64.8 -40.28 94.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.917 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.443 ' O ' ' HB1' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -65.65 -46.87 77.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.228 -179.828 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -53.04 36.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.377 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.479 ' O ' ' HD1' ' A' ' 32' ' ' TRP . 17.7 tttt -66.6 -57.18 7.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.214 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.526 ' HA2' ' CD1' ' A' ' 32' ' ' TRP . . . -59.84 -64.3 4.32 Favored Glycine 0 C--N 1.332 0.328 0 CA-C-N 115.978 -0.556 . . . . 0.0 113.364 -179.54 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.443 ' HB1' ' O ' ' A' ' 26' ' ' MET . . . -62.0 -38.14 87.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.816 0.341 . . . . 0.0 111.563 -179.392 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.63 -54.85 32.39 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.64 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.526 ' CD1' ' HA2' ' A' ' 29' ' ' GLY . 3.3 p-90 -62.22 -50.58 71.2 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 122.846 -0.208 . . . . 0.0 111.444 -179.551 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.466 ' N ' ' CG ' ' A' ' 32' ' ' TRP . . . -55.48 -50.93 68.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.838 0.351 . . . . 0.0 110.805 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.478 ' O ' ' HB2' ' A' ' 38' ' ' PHE . . . -63.08 -37.67 95.32 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.502 -0.856 . . . . 0.0 111.813 179.34 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.66 -52.32 49.54 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.388 -0.911 . . . . 0.0 112.38 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.463 HG21 ' O ' ' A' ' 32' ' ' TRP . 25.8 t -66.03 -48.72 80.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.698 0.285 . . . . 0.0 111.61 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.454 ' O ' ' HB2' ' A' ' 41' ' ' LEU . 5.7 m-85 -61.21 -48.44 81.52 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.003 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.478 ' HB2' ' O ' ' A' ' 34' ' ' GLY . 5.6 t80 -65.02 -47.93 75.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.834 0.349 . . . . 0.0 111.23 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -62.21 -55.42 27.91 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.765 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.439 ' O ' HG12 ' A' ' 44' ' ' ILE . 30.1 m -55.18 -41.5 72.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.676 0.274 . . . . 0.0 111.01 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.454 ' HB2' ' O ' ' A' ' 37' ' ' PHE . 0.7 OUTLIER -63.49 -35.73 81.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.847 0.356 . . . . 0.0 110.827 179.881 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.411 ' O ' ' HB2' ' A' ' 46' ' ' PHE . 1.6 tp -69.95 -45.32 67.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.132 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.85 -56.03 9.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.923 0.392 . . . . 0.0 111.146 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.509 ' O ' ' HG3' ' A' ' 48' ' ' ARG . 32.2 mm -63.53 -44.73 98.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.536 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.474 ' O ' HG11 ' A' ' 49' ' ' VAL . . . -61.82 -43.57 99.04 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.493 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.665 ' CE1' HG23 ' A' ' 50' ' ' VAL . 39.7 t80 -63.62 -50.15 70.5 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.778 0.323 . . . . 0.0 111.047 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.485 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 0.1 OUTLIER -64.2 -27.94 69.41 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.04 0.447 . . . . 0.0 110.623 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.509 ' HG3' ' O ' ' A' ' 44' ' ' ILE . 0.0 OUTLIER -69.99 -59.62 2.8 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.798 179.639 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.474 HG11 ' O ' ' A' ' 45' ' ' GLY . 9.2 p -75.38 -54.21 14.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.264 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.665 HG23 ' CE1' ' A' ' 46' ' ' PHE . 23.4 t -73.71 -47.53 43.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -179.633 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.485 ' HA3' ' O ' ' A' ' 47' ' ' PHE . . . -59.78 -6.52 5.13 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.29 -0.957 . . . . 0.0 112.497 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.405 ' O ' ' CG ' ' A' ' 53' ' ' MET . 3.4 ttp180 74.59 42.54 0.29 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.283 0.563 . . . . 0.0 110.471 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.405 ' CG ' ' O ' ' A' ' 52' ' ' ARG . 9.8 ptt? 46.4 28.96 0.79 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.327 -0.852 . . . . 0.0 111.707 179.538 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.591 ' HB3' ' HD3' ' A' ' 55' ' ' PRO . 2.4 tm? -52.35 -49.99 82.16 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.62 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.591 ' HD3' ' HB3' ' A' ' 54' ' ' LEU . 80.8 Cg_exo -46.44 109.28 0.19 Allowed 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.62 2.213 . . . . 0.0 112.964 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 26.1 mm 66.5 161.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.535 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 80.46 -39.19 0.16 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.377 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.436 ' HG3' HD23 ' A' ' 54' ' ' LEU . 1.5 tm-20 -69.16 -52.24 30.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.313 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 27.9 m-20 64.96 8.84 4.95 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.595 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 55.18 24.13 6.0 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.69 0.281 . . . . 0.0 111.127 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 65.02 162.61 0.12 Allowed Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.281 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.57 ' O ' ' HB2' ' A' ' 63' ' ' ALA . 50.6 Cg_exo -55.05 -22.8 32.58 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.99 2.46 . . . . 0.0 112.536 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.607 ' HB1' ' HD3' ' A' ' 64' ' ' PRO . . . 98.31 -68.81 0.0 OUTLIER Pre-proline 0 N--CA 1.473 0.712 0 C-N-CA 124.055 0.942 . . . . 0.0 111.464 -179.656 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.607 ' HD3' ' HB1' ' A' ' 63' ' ' ALA . 12.6 Cg_exo -70.5 55.5 1.59 Allowed 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 122.07 1.847 . . . . 0.0 112.159 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.53 HD22 ' HD2' ' A' ' 62' ' ' PRO . 1.4 m-80 -86.0 -31.01 22.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.907 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.402 HG13 ' C ' ' A' ' 65' ' ' ASN . 18.0 mt 81.15 144.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.714 -179.686 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.8 t -60.7 -36.94 80.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.864 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.533 ' O ' ' HB2' ' A' ' 69' ' ' ALA . . . -173.35 -168.51 34.59 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.508 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.533 ' HB2' ' O ' ' A' ' 68' ' ' GLY . . . 85.31 -60.17 0.08 Allowed 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 122.897 0.479 . . . . 0.0 110.883 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.595 ' O ' ' HB2' ' A' ' 71' ' ' GLU . 3.9 mm? 67.61 100.97 0.05 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.719 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.595 ' HB2' ' O ' ' A' ' 70' ' ' LEU . 5.1 mm-40 82.97 176.63 0.07 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.759 -179.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -112.02 161.59 16.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.645 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -63.62 -74.29 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.943 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 64.68 44.42 3.84 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.919 0.39 . . . . 0.0 110.927 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -127.62 94.15 3.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.012 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -154.74 151.83 29.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.566 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 7.0 p-80 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.976 -179.474 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.691 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.46 48.67 0.26 Allowed 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 120.847 0.356 . . . . 0.0 111.139 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -162.38 96.18 0.95 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.873 0.368 . . . . 0.0 110.57 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -69.9 134.05 48.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.887 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.708 HG13 ' H ' ' A' ' 6' ' ' PHE . 6.8 tp 41.73 -153.14 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.692 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.708 ' H ' HG13 ' A' ' 5' ' ' ILE . 34.8 m-85 59.67 164.51 0.05 Allowed 'General case' 0 C--N 1.331 -0.233 0 O-C-N 122.058 -0.401 . . . . 0.0 110.938 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 60.45 43.32 13.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.762 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -166.62 118.38 0.98 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.963 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -67.38 175.53 2.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.261 -179.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 71.28 -72.75 0.11 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.681 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -56.34 132.82 52.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.119 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.532 ' O ' ' HB2' ' A' ' 13' ' ' ASN . 0.3 OUTLIER 60.33 -138.16 0.64 Allowed 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.808 179.743 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.532 ' HB2' ' O ' ' A' ' 12' ' ' THR . 10.8 m120 73.53 128.56 0.03 OUTLIER Pre-proline 0 N--CA 1.462 0.159 0 CA-C-O 120.66 0.267 . . . . 0.0 111.04 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -61.18 -24.92 80.04 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.517 2.145 . . . . 0.0 112.145 179.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.2 mttp -46.45 -39.68 11.02 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.266 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 68.7 p -72.4 -42.11 65.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.054 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.561 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 9.1 t-20 -64.54 -43.11 95.03 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.06 0.457 . . . . 0.0 110.737 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.44 ' O ' HG23 ' A' ' 22' ' ' VAL . 33.8 mt -67.69 -36.13 80.1 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.303 179.573 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -62.71 -52.56 62.78 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.131 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 17' ' ' ASN . 3.7 pp -61.2 -38.27 85.96 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.679 0.276 . . . . 0.0 110.677 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.406 ' O ' ' HB2' ' A' ' 25' ' ' GLN . 43.3 t-105 -60.75 -55.29 34.88 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.917 179.602 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.466 ' O ' ' HB2' ' A' ' 26' ' ' MET . 46.6 t -61.29 -45.39 98.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.34 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.1 -55.34 36.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.762 0.315 . . . . 0.0 111.657 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.91 -44.54 96.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.499 -179.395 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.406 ' HB2' ' O ' ' A' ' 21' ' ' TRP . 2.8 tp60 -63.37 -45.54 90.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.775 0.321 . . . . 0.0 111.212 -179.566 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.466 ' HB2' ' O ' ' A' ' 22' ' ' VAL . 2.4 tpt -66.13 -36.67 83.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.111 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.405 ' HB3' ' HE2' ' A' ' 27' ' ' MET . 77.4 mtp -65.01 -52.55 55.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.18 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.6 mtmm -65.89 -52.86 46.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.556 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.04 -66.89 2.31 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 121.016 -0.612 . . . . 0.0 113.689 -178.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.53 -42.85 97.31 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -178.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.0 -63.72 4.81 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.891 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -61.88 -60.09 4.16 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -179.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.29 -51.77 66.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.627 -179.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.17 -45.51 95.88 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.434 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -60.7 -53.0 48.99 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.67 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.534 ' O ' HG21 ' A' ' 40' ' ' THR . 19.4 t -65.32 -52.21 55.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 111.618 0.229 . . . . 0.0 111.618 -179.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -57.63 -58.1 9.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.559 -0.292 . . . . 0.0 111.42 -179.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -65.59 -35.91 82.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.759 0.314 . . . . 0.0 111.159 -179.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -62.79 -55.84 24.58 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.899 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.534 HG21 ' O ' ' A' ' 36' ' ' VAL . 14.6 t -66.92 -41.91 86.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.761 0.315 . . . . 0.0 111.344 -179.631 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.42 ' N ' HG23 ' A' ' 40' ' ' THR . 6.3 tp -57.78 -50.19 74.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.851 0.357 . . . . 0.0 111.161 -179.65 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.564 ' O ' ' HB2' ' A' ' 46' ' ' PHE . 1.7 tp -72.98 -44.79 60.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.512 -179.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 85.4 mt -68.18 -62.23 1.49 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.734 0.302 . . . . 0.0 111.491 -179.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.404 HG23 HD12 ' A' ' 44' ' ' ILE . 33.4 mm -64.05 -39.1 84.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.267 -179.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.2 -50.28 66.69 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.789 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.564 ' HB2' ' O ' ' A' ' 42' ' ' LEU . 0.3 OUTLIER -64.51 -46.2 83.97 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.661 0.267 . . . . 0.0 111.047 -179.744 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.99 -33.92 77.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.935 0.398 . . . . 0.0 110.581 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.804 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 22.6 ttp180 -67.64 -49.51 62.57 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.211 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.44 HG22 HG21 ' A' ' 50' ' ' VAL . 35.4 m -72.31 -50.81 33.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 121.125 -0.23 . . . . 0.0 111.386 -179.612 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.44 HG21 HG22 ' A' ' 49' ' ' VAL . 41.9 t -67.02 -50.66 62.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.785 0.326 . . . . 0.0 110.747 179.687 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.1 -21.6 61.79 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.789 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.804 ' HB2' ' O ' ' A' ' 48' ' ' ARG . 0.5 OUTLIER -79.0 -20.16 49.77 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.617 0.228 . . . . 0.0 111.617 -179.762 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 20.6 mtm -152.17 36.63 0.54 Allowed 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.827 -179.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.542 ' HB3' ' HD3' ' A' ' 55' ' ' PRO . 5.1 tt -71.58 -52.2 8.66 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.638 -0.255 . . . . 0.0 110.697 179.241 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.542 ' HD3' ' HB3' ' A' ' 54' ' ' LEU . 71.8 Cg_endo -75.49 -30.25 6.68 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.608 2.206 . . . . 0.0 112.649 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.476 ' O ' ' HB2' ' A' ' 57' ' ' GLN . 3.0 mp -80.43 -39.34 18.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.518 -179.349 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.476 ' HB2' ' O ' ' A' ' 56' ' ' ILE . 70.4 mt-30 69.24 57.47 0.36 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.303 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 79.85 134.7 0.06 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.032 179.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.6 p30 -82.77 107.15 15.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.889 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -147.67 54.48 1.06 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.649 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.15 123.86 89.15 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.076 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_exo -51.52 92.36 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.415 2.077 . . . . 0.0 112.207 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.449 ' O ' HG22 ' A' ' 66' ' ' ILE . . . -65.25 121.27 73.65 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.649 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_endo -49.64 -63.01 0.33 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.779 2.319 . . . . 0.0 112.956 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -82.6 104.61 12.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.909 0.385 . . . . 0.0 111.648 -179.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.449 HG22 ' O ' ' A' ' 63' ' ' ALA . 9.9 tp -170.64 -33.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.187 179.153 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.428 ' N ' HG21 ' A' ' 66' ' ' ILE . 0.0 OUTLIER -176.81 -167.85 0.2 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.51 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.22 66.42 0.23 Allowed Glycine 0 CA--C 1.518 0.237 0 C-N-CA 120.751 -0.737 . . . . 0.0 113.092 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.432 ' O ' ' CB ' ' A' ' 70' ' ' LEU . . . -63.85 -69.06 0.3 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.681 0.277 . . . . 0.0 111.119 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.432 ' CB ' ' O ' ' A' ' 69' ' ' ALA . 0.3 OUTLIER 83.17 -72.97 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.28 179.604 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.507 ' HG3' ' H ' ' A' ' 72' ' ' HIS . 3.9 pt-20 28.96 -94.87 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.203 -179.694 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.507 ' H ' ' HG3' ' A' ' 71' ' ' GLU . 8.0 p80 -146.04 -27.69 0.43 Allowed 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 120.717 0.294 . . . . 0.0 110.846 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 1.2 t60 68.53 158.09 0.15 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.938 0.399 . . . . 0.0 110.951 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 46.4 m80 -71.5 -24.32 61.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.995 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 53.4 t60 67.36 -72.78 0.09 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.547 179.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 12.5 m170 62.96 98.32 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.973 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.205 -0.903 . . . . 0.0 111.014 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.567 0.222 . . . . 0.0 111.381 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.08 94.35 0.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.786 0.327 . . . . 0.0 110.976 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.441 ' O ' ' HG3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -59.33 117.64 5.04 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.622 179.677 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.41 ' O ' HG23 ' A' ' 5' ' ' ILE . 0.2 OUTLIER 56.23 35.9 26.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.56 -179.608 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.552 ' O ' HG13 ' A' ' 5' ' ' ILE . 10.6 tp 35.66 34.57 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 CA-C-N 115.778 -0.647 . . . . 0.0 112.109 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER 49.05 23.22 0.7 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.958 179.664 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.499 ' O ' ' HB2' ' A' ' 8' ' ' ASP . 0.7 OUTLIER -74.76 -43.72 53.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.735 0.303 . . . . 0.0 111.033 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.612 ' O ' ' HB2' ' A' ' 9' ' ' HIS . 1.0 OUTLIER 72.78 94.61 0.08 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.299 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.612 ' HB2' ' O ' ' A' ' 8' ' ' ASP . 1.6 m-70 83.62 -30.87 0.08 Allowed 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.632 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 60.61 105.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.424 ' ND2' ' H ' ' A' ' 12' ' ' THR . 4.5 p-10 -106.98 -95.77 0.37 Allowed 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 121.12 -0.232 . . . . 0.0 111.401 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.424 ' H ' ' ND2' ' A' ' 11' ' ' ASN . 9.0 t -86.78 116.19 24.71 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.758 0.313 . . . . 0.0 111.309 -179.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.807 ' HB3' ' HD3' ' A' ' 14' ' ' PRO . 20.6 t-20 -166.87 -59.53 0.01 OUTLIER Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.053 178.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.807 ' HD3' ' HB3' ' A' ' 13' ' ' ASN . 50.2 Cg_exo -54.36 -17.6 12.59 Favored 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 122.21 1.94 . . . . 0.0 112.175 178.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.92 ' HB2' ' HB2' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -117.06 -50.54 2.58 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.85 -179.416 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.625 ' H ' ' HG2' ' A' ' 15' ' ' LYS . 55.3 m 27.49 -96.13 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 179.219 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.532 ' O ' ' HB2' ' A' ' 21' ' ' TRP . 4.3 m-20 -66.35 -38.42 87.57 Favored 'General case' 0 N--CA 1.462 0.134 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -179.023 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.522 ' O ' HG22 ' A' ' 22' ' ' VAL . 1.1 tt -62.99 -54.83 32.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.792 0.329 . . . . 0.0 110.986 -179.626 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.92 ' HB2' ' HB2' ' A' ' 15' ' ' LYS . 15.4 tpt85 -59.87 -46.09 90.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.052 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.559 ' HG ' ' CD2' ' A' ' 24' ' ' PHE . 6.3 tp -63.58 -41.36 98.38 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.471 -179.452 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.532 ' HB2' ' O ' ' A' ' 17' ' ' ASN . 0.1 OUTLIER -62.54 -51.52 67.06 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.804 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.522 HG22 ' O ' ' A' ' 18' ' ' LEU . 40.9 t -60.72 -50.37 80.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.49 -179.626 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.58 -53.02 62.89 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -179.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.559 ' CD2' ' HG ' ' A' ' 20' ' ' LEU . 8.1 m-85 -63.53 -49.91 71.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.854 -179.133 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.438 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 26.8 tt0 -61.22 -44.53 97.13 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.575 -179.014 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.457 ' O ' ' HB1' ' A' ' 30' ' ' ALA . 4.6 tmm? -66.62 -54.21 25.78 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.744 0.306 . . . . 0.0 111.327 -179.737 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -67.44 -64.36 0.87 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -179.202 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.0 tttm -65.45 -42.71 92.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.289 -0.414 . . . . 0.0 112.046 -178.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.438 ' HA3' ' O ' ' A' ' 25' ' ' GLN . . . -61.22 -67.52 2.08 Favored Glycine 0 N--CA 1.454 -0.151 0 C-N-CA 120.48 -0.867 . . . . 0.0 112.535 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.457 ' HB1' ' O ' ' A' ' 26' ' ' MET . . . -62.73 -35.36 79.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.806 0.336 . . . . 0.0 111.044 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.99 -65.31 3.39 Favored Glycine 0 C--N 1.331 0.275 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.968 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 43.3 t90 -61.31 -54.28 45.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.756 0.312 . . . . 0.0 111.126 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.727 ' O ' ' HB2' ' A' ' 37' ' ' PHE . . . -55.85 -70.13 0.12 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.373 -179.38 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.738 ' O ' ' HB2' ' A' ' 38' ' ' PHE . . . -59.04 -39.07 93.85 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.385 -0.912 . . . . 0.0 112.404 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.42 -67.33 2.16 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.774 -0.727 . . . . 0.0 113.315 -179.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.5 t -63.23 -47.86 90.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 -178.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.727 ' HB2' ' O ' ' A' ' 33' ' ' ALA . 0.1 OUTLIER -58.95 -54.7 44.14 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 111.634 0.235 . . . . 0.0 111.634 -179.123 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.738 ' HB2' ' O ' ' A' ' 34' ' ' GLY . 9.3 m-85 -65.42 -39.23 91.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.68 0.276 . . . . 0.0 110.722 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.81 -61.28 7.38 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.401 -0.904 . . . . 0.0 112.123 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.486 ' O ' HG12 ' A' ' 44' ' ' ILE . 3.1 m -56.94 -52.89 63.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.68 0.276 . . . . 0.0 110.889 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.1 tp -52.44 -53.72 41.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.432 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.539 ' HB2' ' O ' ' A' ' 38' ' ' PHE . 1.1 tp -62.16 -34.71 76.92 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.835 0.35 . . . . 0.0 110.926 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.618 ' O ' ' HB2' ' A' ' 47' ' ' PHE . 2.5 mp -66.35 -50.73 62.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.59 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.486 HG12 ' O ' ' A' ' 40' ' ' THR . 43.0 mm -62.64 -37.04 77.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.871 0.367 . . . . 0.0 110.809 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.648 ' O ' ' HG2' ' A' ' 48' ' ' ARG . . . -64.92 -56.32 17.02 Favored Glycine 0 CA--C 1.519 0.316 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.609 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.465 ' O ' HG23 ' A' ' 49' ' ' VAL . 1.0 OUTLIER -65.85 -39.73 91.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.851 0.357 . . . . 0.0 111.219 -179.67 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.618 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 6.4 m-85 -69.72 -38.02 76.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.635 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.648 ' HG2' ' O ' ' A' ' 45' ' ' GLY . 4.6 ptm180 -68.0 -40.89 82.95 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 121.176 -0.21 . . . . 0.0 110.835 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 46' ' ' PHE . 1.8 m -71.43 -58.03 6.13 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.245 179.666 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.533 ' HA ' ' O ' ' A' ' 54' ' ' LEU . 42.2 t -67.42 -35.82 74.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.244 0.545 . . . . 0.0 110.941 179.449 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.447 ' HA3' ' O ' ' A' ' 47' ' ' PHE . . . -67.95 -32.85 78.01 Favored Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.319 -0.855 . . . . 0.0 112.48 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -81.3 -59.92 2.46 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.71 0.29 . . . . 0.0 111.318 -179.307 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.753 ' O ' ' HD3' ' A' ' 55' ' ' PRO . 0.0 OUTLIER -162.12 -41.24 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.864 -0.335 . . . . 0.0 111.758 -179.572 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.533 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 51.9 mt -80.91 99.01 0.44 Allowed Pre-proline 0 C--N 1.329 -0.284 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -178.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.753 ' HD3' ' O ' ' A' ' 53' ' ' MET . 9.8 Cg_endo -88.96 -50.88 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 123.04 2.493 . . . . 0.0 112.292 179.549 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.691 HD13 ' HB2' ' A' ' 55' ' ' PRO . 0.2 OUTLIER -154.32 54.16 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.163 179.023 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.647 ' HB2' ' O ' ' A' ' 56' ' ' ILE . 1.5 mm-40 82.6 -29.38 0.1 Allowed 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.56 -178.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -68.89 140.07 55.15 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.437 179.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.469 ' HB3' ' HB3' ' A' ' 62' ' ' PRO . 18.4 m120 -84.81 -46.98 10.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.829 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 61.63 90.67 0.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.292 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 57.47 58.25 7.48 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.758 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.469 ' HB3' ' HB3' ' A' ' 59' ' ' ASN . 60.2 Cg_endo -74.16 -25.73 13.43 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.466 2.111 . . . . 0.0 112.489 179.507 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.573 ' N ' ' HD2' ' A' ' 64' ' ' PRO . . . -67.71 -51.74 29.1 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 115.992 -0.549 . . . . 0.0 112.31 -179.359 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.573 ' HD2' ' N ' ' A' ' 63' ' ' ALA . 18.6 Cg_endo -58.53 82.33 0.05 OUTLIER 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.328 2.018 . . . . 0.0 112.503 -179.617 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -88.24 -55.42 3.75 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.591 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.579 ' O ' HG23 ' A' ' 66' ' ' ILE . 1.0 OUTLIER -166.97 89.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.433 179.717 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 29.0 p 36.83 -158.99 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.95 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.3 -157.75 18.3 Favored Glycine 0 C--N 1.333 0.38 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.57 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -176.02 -178.33 1.01 Allowed 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.826 0.346 . . . . 0.0 111.383 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.2 tt -173.35 57.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.964 0.412 . . . . 0.0 110.966 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -174.29 -51.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.944 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 12.3 m170 61.78 -175.47 0.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.973 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 34.0 m-70 -76.0 -36.36 59.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 60.39 31.15 20.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.948 0.404 . . . . 0.0 110.499 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.18 112.29 6.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.848 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 62.0 t-80 -158.25 142.32 15.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.769 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 6.3 m170 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.932 -179.968 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.659 ' O ' ' HD3' ' A' ' 19' ' ' ARG . 6.7 tttp . . . . . 0 N--CA 1.457 -0.116 0 CA-C-O 120.854 0.359 . . . . 0.0 110.753 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.7 m -70.72 -42.11 71.01 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -65.62 -40.92 93.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.858 0.361 . . . . 0.0 110.72 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.648 ' O ' HG23 ' A' ' 22' ' ' VAL . 7.5 tt -61.79 -46.67 88.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.82 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.659 ' HD3' ' O ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -63.56 -40.63 97.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.553 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.66 -46.31 86.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.032 0.444 . . . . 0.0 110.562 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 13.6 t-105 -61.42 -54.42 43.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.06 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 18' ' ' LEU . 27.9 t -61.73 -40.33 86.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.073 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.79 -49.08 78.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.046 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -64.55 -45.6 86.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -61.14 -46.37 90.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.939 -179.503 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.406 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 6.1 mmm -67.34 -48.02 68.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.327 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.7 mtp -63.73 -61.39 2.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.647 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.28 -43.22 95.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.873 0.368 . . . . 0.0 110.838 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.667 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . -63.82 -66.08 2.71 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.881 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . -62.45 -48.41 79.78 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -179.388 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.77 -69.94 1.13 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.59 -0.815 . . . . 0.0 113.087 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.464 ' O ' HG23 ' A' ' 36' ' ' VAL . 1.0 OUTLIER -57.05 -64.66 0.81 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -179.327 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.667 ' HB3' ' O ' ' A' ' 29' ' ' GLY . . . -55.99 -65.14 0.65 Allowed 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -178.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.519 ' O ' ' HB2' ' A' ' 38' ' ' PHE . . . -61.19 -41.89 99.62 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.552 -0.832 . . . . 0.0 112.995 -179.361 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -60.75 -60.39 8.54 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.531 -0.842 . . . . 0.0 113.027 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 32' ' ' TRP . 24.0 t -63.31 -52.13 62.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -179.284 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.81 ' O ' ' HB2' ' A' ' 41' ' ' LEU . 1.7 t80 -59.84 -64.99 0.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.475 -179.249 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.524 ' O ' ' HB2' ' A' ' 42' ' ' LEU . 0.1 OUTLIER -64.31 -45.31 88.49 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.523 0.201 . . . . 0.0 111.368 -179.42 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.84 -62.63 5.88 Favored Glycine 0 CA--C 1.52 0.37 0 C-N-CA 120.755 -0.736 . . . . 0.0 113.467 -179.443 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.553 HG22 HG12 ' A' ' 44' ' ' ILE . 2.4 m -59.99 -57.43 12.88 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 -179.241 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.81 ' HB2' ' O ' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -48.33 -44.41 34.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.59 -179.446 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.524 ' HB2' ' O ' ' A' ' 38' ' ' PHE . 6.5 mp -68.79 -46.91 67.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.706 0.289 . . . . 0.0 111.356 -179.648 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.531 ' O ' ' HB2' ' A' ' 47' ' ' PHE . 0.4 OUTLIER -65.87 -68.02 0.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.136 -179.398 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.808 ' O ' ' HB2' ' A' ' 48' ' ' ARG . 1.4 pt -64.54 -35.07 73.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -179.4 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.473 ' N ' HG13 ' A' ' 44' ' ' ILE . . . -63.5 -57.69 13.96 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.333 -0.937 . . . . 0.0 112.901 -179.7 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.633 ' CE1' HG21 ' A' ' 50' ' ' VAL . 27.4 t80 -65.72 -41.94 91.68 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -179.286 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.531 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -66.82 -43.15 84.53 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 121.053 -0.259 . . . . 0.0 111.264 -179.635 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.808 ' HB2' ' O ' ' A' ' 44' ' ' ILE . 2.1 mtp85 -67.42 -38.7 85.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.588 0.232 . . . . 0.0 111.556 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.533 HG13 ' N ' ' A' ' 50' ' ' VAL . 10.2 p -71.63 -51.1 34.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 120.84 -0.344 . . . . 0.0 111.658 -179.128 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.633 HG21 ' CE1' ' A' ' 46' ' ' PHE . 21.8 t -71.09 -42.21 76.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.93 0.395 . . . . 0.0 111.658 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -65.97 -57.51 10.68 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 121.114 -0.565 . . . . 0.0 113.013 -179.231 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.534 ' HB2' ' O ' ' A' ' 48' ' ' ARG . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.397 0 CA-C-O 120.562 0.22 . . . . 0.0 111.432 -179.457 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.3 tttt . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 120.744 0.307 . . . . 0.0 111.379 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.414 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 0.7 OUTLIER -71.08 -43.17 68.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.156 -179.569 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -64.41 -50.24 68.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.815 0.341 . . . . 0.0 110.96 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.497 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.8 tt -59.45 -49.56 77.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.292 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 19' ' ' ARG . 0.3 OUTLIER -61.91 -50.07 73.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.073 -179.57 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.534 ' O ' ' HB2' ' A' ' 24' ' ' PHE . 2.6 tp -59.93 -39.59 86.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.811 0.339 . . . . 0.0 110.793 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.497 ' O ' ' HB2' ' A' ' 25' ' ' GLN . 0.7 OUTLIER -60.59 -59.35 5.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.072 -179.897 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 18' ' ' LEU . 21.0 t -60.04 -46.36 94.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.686 -179.537 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.1 -55.04 38.84 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -179.513 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.534 ' HB2' ' O ' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -62.42 -40.63 97.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.653 0.263 . . . . 0.0 111.376 -179.424 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.497 ' HB2' ' O ' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -63.19 -54.56 35.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.477 -179.512 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.5 ttt -67.49 -51.47 50.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.743 -179.222 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.64 -65.14 0.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -179.007 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.421 ' HD2' ' CD2' ' A' ' 24' ' ' PHE . 0.6 OUTLIER -64.29 -38.21 90.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.444 -179.169 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.456 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . -61.6 -66.56 2.57 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.418 -0.896 . . . . 0.0 112.379 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.446 ' O ' ' HA3' ' A' ' 34' ' ' GLY . . . -58.63 -39.01 79.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.933 0.397 . . . . 0.0 110.757 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.88 -77.76 0.23 Allowed Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.764 -0.731 . . . . 0.0 113.065 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 14.5 t90 -57.03 -67.15 0.34 Allowed 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -178.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 29' ' ' GLY . . . -54.37 -37.13 64.63 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.664 0.268 . . . . 0.0 111.035 -178.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.446 ' HA3' ' O ' ' A' ' 30' ' ' ALA . . . -61.56 -51.14 59.67 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.091 -1.052 . . . . 0.0 111.863 179.203 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.14 -59.19 9.36 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.983 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.4 t -60.65 -53.72 45.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -179.167 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.63 ' O ' ' HB2' ' A' ' 41' ' ' LEU . 20.6 t80 -59.14 -67.01 0.41 Allowed 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.64 0.237 . . . . 0.0 111.64 -178.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.685 ' O ' ' HB2' ' A' ' 42' ' ' LEU . 93.9 m-85 -63.3 -44.55 94.69 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.922 -0.311 . . . . 0.0 111.191 -179.455 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.542 ' O ' HD23 ' A' ' 43' ' ' LEU . . . -59.5 -59.71 10.11 Favored Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.38 -0.914 . . . . 0.0 112.933 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 28.7 m -60.17 -49.77 76.3 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.63 ' HB2' ' O ' ' A' ' 37' ' ' PHE . 2.5 tp -60.08 -44.6 94.67 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.674 0.25 . . . . 0.0 111.674 -179.31 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.685 ' HB2' ' O ' ' A' ' 38' ' ' PHE . 0.7 OUTLIER -64.94 -39.49 93.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.644 0.259 . . . . 0.0 111.053 -179.686 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.542 HD23 ' O ' ' A' ' 39' ' ' GLY . 3.7 mm? -68.47 -52.77 28.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.201 -179.579 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.591 ' O ' ' HB2' ' A' ' 48' ' ' ARG . 1.9 pp -64.66 -44.04 96.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.315 -179.784 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.71 -51.31 58.29 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.915 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.512 ' O ' ' HB ' ' A' ' 50' ' ' VAL . 3.4 m-85 -63.35 -52.39 61.97 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.723 0.296 . . . . 0.0 111.632 -179.374 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -64.02 -51.23 65.18 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -178.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.591 ' HB2' ' O ' ' A' ' 44' ' ' ILE . 11.1 mtt180 -69.06 -52.39 29.0 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -179.341 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 15.3 t -73.43 -64.59 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -178.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.512 ' HB ' ' O ' ' A' ' 46' ' ' PHE . 19.0 t -65.72 -43.9 93.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.61 0.243 . . . . 0.0 111.572 -179.293 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.56 -40.13 98.74 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.479 -0.867 . . . . 0.0 112.85 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.43 ' HB2' ' O ' ' A' ' 48' ' ' ARG . 6.0 ttp-105 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 122.626 -0.338 . . . . 0.0 111.441 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.838 ' HB2' ' HB2' ' A' ' 19' ' ' ARG . 55.3 mmtt . . . . . 0 CA--C 1.534 0.335 0 CA-C-O 120.511 0.196 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 82.0 p 36.91 -95.72 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.492 ' O ' ' HB2' ' A' ' 21' ' ' TRP . 30.3 m120 -62.93 -42.68 99.88 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 120.732 0.301 . . . . 0.0 110.617 -179.492 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.452 ' O ' HG23 ' A' ' 22' ' ' VAL . 95.9 mt -66.58 -35.35 79.99 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.132 179.311 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.838 ' HB2' ' HB2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -61.77 -64.47 0.93 Allowed 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.272 0.558 . . . . 0.0 110.716 179.542 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.408 ' O ' ' HB2' ' A' ' 24' ' ' PHE . 3.5 pp -59.68 -31.75 69.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.171 -179.24 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.492 ' HB2' ' O ' ' A' ' 17' ' ' ASN . 13.3 t90 -61.59 -61.9 2.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.702 0.287 . . . . 0.0 110.986 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 18' ' ' LEU . 21.4 t -63.08 -46.43 96.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.52 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.519 ' O ' ' HB2' ' A' ' 27' ' ' MET . . . -56.92 -56.06 26.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.86 0.362 . . . . 0.0 111.221 -179.648 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.698 ' O ' ' HB3' ' A' ' 28' ' ' LYS . 6.4 m-85 -61.3 -35.9 78.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.93 0.395 . . . . 0.0 110.941 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -60.53 -63.87 1.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.064 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 21.2 mmt -69.1 -53.91 17.79 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.519 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -65.88 -64.87 0.76 Allowed 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -178.526 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.698 ' HB3' ' O ' ' A' ' 24' ' ' PHE . 7.8 tttp -63.67 -38.1 89.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.823 -0.171 . . . . 0.0 111.121 -178.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.8 -66.54 2.57 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.497 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.18 -42.83 99.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.86 0.362 . . . . 0.0 110.566 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.463 ' O ' ' HA3' ' A' ' 35' ' ' GLY . . . -59.73 -37.76 92.87 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.573 -0.822 . . . . 0.0 111.903 179.482 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.625 ' HB3' ' O ' ' A' ' 28' ' ' LYS . 0.4 OUTLIER -62.67 -66.16 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.788 0.328 . . . . 0.0 110.501 179.629 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.482 ' N ' ' CG ' ' A' ' 32' ' ' TRP . . . -58.9 -61.45 2.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.0 0.429 . . . . 0.0 110.98 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.448 ' O ' ' HB2' ' A' ' 38' ' ' PHE . . . -59.07 -44.16 96.5 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.685 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.463 ' HA3' ' O ' ' A' ' 31' ' ' GLY . . . -59.36 -52.85 50.74 Favored Glycine 0 CA--C 1.517 0.215 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.997 -179.562 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.509 ' O ' HG23 ' A' ' 40' ' ' THR . 51.0 t -66.76 -47.54 82.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.654 0.264 . . . . 0.0 111.297 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.614 ' O ' ' HB2' ' A' ' 41' ' ' LEU . 15.0 m-85 -60.11 -62.23 2.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.96 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.531 ' O ' HD23 ' A' ' 42' ' ' LEU . 6.4 m-85 -64.23 -38.7 91.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.754 0.311 . . . . 0.0 111.123 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.5 -63.82 4.78 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.35 -0.929 . . . . 0.0 112.965 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.509 HG23 ' O ' ' A' ' 36' ' ' VAL . 22.4 p -60.54 -45.4 94.02 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.798 0.295 . . . . 0.0 111.798 -179.476 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.614 ' HB2' ' O ' ' A' ' 37' ' ' PHE . 3.8 tp -60.56 -46.21 91.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.645 -179.289 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.531 HD23 ' O ' ' A' ' 38' ' ' PHE . 4.1 mm? -66.07 -42.81 88.91 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -179.445 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.98 -55.54 12.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.674 0.273 . . . . 0.0 111.233 -179.317 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.411 HG12 ' O ' ' A' ' 40' ' ' THR . 28.3 mm -65.6 -47.97 84.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.271 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -60.44 -53.19 47.58 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.944 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -62.35 -48.76 78.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.877 0.37 . . . . 0.0 110.964 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -64.88 -32.12 73.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.125 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 48' ' ' ARG . 7.3 mtm180 -66.86 -52.33 44.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.512 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.2 t -72.98 -53.34 18.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.724 -179.197 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 26.4 t -64.96 -41.75 92.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.031 0.443 . . . . 0.0 110.269 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -73.43 -71.98 1.04 Allowed Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 115.733 -0.667 . . . . 0.0 113.868 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.0 mpt_? . . . . . 0 C--N 1.331 -0.23 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -178.304 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.164 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.542 ' O ' HD12 ' A' ' 20' ' ' LEU . 4.7 t -73.48 -30.09 62.93 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.693 0.282 . . . . 0.0 111.468 -179.393 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -62.71 -57.24 11.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.793 0.33 . . . . 0.0 110.933 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.56 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -62.77 -39.76 95.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 40.6 ttt180 -61.83 -50.9 70.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.896 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.542 HD12 ' O ' ' A' ' 16' ' ' THR . 0.2 OUTLIER -62.03 -39.8 93.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.048 179.877 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.59 -54.45 42.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.1 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 18' ' ' LEU . 43.3 t -62.51 -43.6 98.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.114 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.18 -50.84 72.1 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.757 0.313 . . . . 0.0 111.087 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.404 ' O ' ' HB2' ' A' ' 28' ' ' LYS . 0.6 OUTLIER -62.57 -42.81 99.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.11 -179.849 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -63.16 -46.08 88.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.249 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -43.43 79.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.247 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.462 ' O ' ' HA3' ' A' ' 31' ' ' GLY . 15.6 mtt -64.73 -56.17 15.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.017 -179.652 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 24' ' ' PHE . 2.6 mttt -65.87 -50.93 62.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.818 0.342 . . . . 0.0 110.636 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.763 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . -57.98 -74.1 0.38 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.644 -179.67 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.435 ' O ' ' HA3' ' A' ' 34' ' ' GLY . . . -59.04 -29.11 67.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.795 0.298 . . . . 0.0 111.085 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.462 ' HA3' ' O ' ' A' ' 27' ' ' MET . . . -62.77 -77.65 0.2 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.971 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.477 ' CG ' ' N ' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -74.42 -51.06 16.04 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 111.594 0.22 . . . . 0.0 111.594 -179.128 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.763 ' HB3' ' O ' ' A' ' 29' ' ' GLY . . . -57.79 -40.67 80.4 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 179.533 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.526 ' O ' ' HB2' ' A' ' 38' ' ' PHE . . . -65.18 -41.85 96.72 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.411 -0.9 . . . . 0.0 111.703 178.799 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -60.33 -46.4 94.36 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.298 -0.953 . . . . 0.0 112.036 179.405 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 32' ' ' TRP . 37.9 t -68.19 -52.88 33.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.891 0.377 . . . . 0.0 111.254 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.558 ' O ' ' HB2' ' A' ' 41' ' ' LEU . 7.1 t80 -60.24 -59.4 5.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.079 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.719 ' O ' ' HB2' ' A' ' 42' ' ' LEU . 0.1 OUTLIER -63.74 -47.19 82.04 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.626 -179.811 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -61.75 -66.44 2.64 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.926 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 17.3 m -50.5 -56.16 12.82 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.689 0.281 . . . . 0.0 111.655 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.819 HD12 HD11 ' A' ' 44' ' ' ILE . 6.2 tp -55.44 -39.28 70.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.532 -179.351 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.719 ' HB2' ' O ' ' A' ' 38' ' ' PHE . 0.2 OUTLIER -65.88 -42.01 90.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.639 0.256 . . . . 0.0 110.642 179.755 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.24 -51.92 52.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.108 -179.458 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.819 HD11 HD12 ' A' ' 41' ' ' LEU . 0.8 OUTLIER -63.04 -44.61 99.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.612 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.95 -42.33 99.7 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.482 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.587 ' HB2' ' O ' ' A' ' 42' ' ' LEU . 0.1 OUTLIER -63.31 -49.26 74.68 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.962 0.41 . . . . 0.0 110.465 179.86 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -67.33 -29.82 69.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.728 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.576 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -66.76 -49.89 64.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.571 179.554 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.533 HG13 ' N ' ' A' ' 50' ' ' VAL . 9.2 p -72.25 -50.47 35.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.46 -179.625 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.533 ' N ' HG13 ' A' ' 49' ' ' VAL . 41.5 t -67.23 -46.12 84.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.91 0.386 . . . . 0.0 110.751 179.72 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.07 -30.94 77.03 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.394 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.576 ' HB2' ' O ' ' A' ' 48' ' ' ARG . 9.9 mtp180 . . . . . 0 C--N 1.33 -0.244 0 CA-C-O 120.88 0.372 . . . . 0.0 110.643 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.616 ' O ' ' HB2' ' A' ' 19' ' ' ARG . 2.8 mptt . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.452 0.168 . . . . 0.0 111.353 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.0 m -72.87 -48.38 37.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.746 0.308 . . . . 0.0 111.293 -179.637 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -64.39 -48.61 74.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.949 0.404 . . . . 0.0 110.921 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.636 ' O ' HG22 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -59.68 -43.23 94.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.219 -179.846 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.616 ' HB2' ' O ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -63.85 -51.73 63.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.559 -179.444 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 75.8 mt -61.81 -41.93 98.38 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.817 0.341 . . . . 0.0 110.765 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 4.0 t-105 -63.06 -51.4 66.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.421 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.636 HG22 ' O ' ' A' ' 18' ' ' LEU . 24.1 m -60.78 -48.3 89.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.523 -179.667 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.506 ' N ' HG23 ' A' ' 22' ' ' VAL . . . -59.37 -42.21 91.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.142 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.69 -43.08 94.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.917 0.389 . . . . 0.0 110.633 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -64.8 -40.28 94.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.917 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.707 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -65.65 -46.87 77.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.228 -179.828 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -53.04 36.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.377 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.474 ' O ' ' HD1' ' A' ' 32' ' ' TRP . 17.7 tttt -66.6 -57.18 7.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.214 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.531 ' HA2' ' CD1' ' A' ' 32' ' ' TRP . . . -59.84 -64.3 4.32 Favored Glycine 0 C--N 1.332 0.328 0 CA-C-N 115.978 -0.556 . . . . 0.0 113.364 -179.54 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.707 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . -62.0 -38.14 87.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.816 0.341 . . . . 0.0 111.563 -179.392 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.63 -54.85 32.39 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.64 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.531 ' CD1' ' HA2' ' A' ' 29' ' ' GLY . 3.3 p-90 -62.22 -50.58 71.2 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 122.846 -0.208 . . . . 0.0 111.444 -179.551 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.466 ' N ' ' CG ' ' A' ' 32' ' ' TRP . . . -55.48 -50.93 68.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.838 0.351 . . . . 0.0 110.805 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.51 ' O ' ' HB2' ' A' ' 38' ' ' PHE . . . -63.08 -37.67 95.32 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.502 -0.856 . . . . 0.0 111.813 179.34 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.66 -52.32 49.54 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.388 -0.911 . . . . 0.0 112.38 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 32' ' ' TRP . 25.8 t -66.03 -48.72 80.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.698 0.285 . . . . 0.0 111.61 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.456 ' O ' ' HB2' ' A' ' 41' ' ' LEU . 5.7 m-85 -61.21 -48.44 81.52 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.003 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.51 ' HB2' ' O ' ' A' ' 34' ' ' GLY . 5.6 t80 -65.02 -47.93 75.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.834 0.349 . . . . 0.0 111.23 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -62.21 -55.42 27.91 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.765 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.46 ' O ' HG12 ' A' ' 44' ' ' ILE . 30.1 m -55.18 -41.5 72.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.676 0.274 . . . . 0.0 111.01 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.456 ' HB2' ' O ' ' A' ' 37' ' ' PHE . 0.7 OUTLIER -63.49 -35.73 81.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.847 0.356 . . . . 0.0 110.827 179.881 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.438 ' O ' ' HB2' ' A' ' 46' ' ' PHE . 1.6 tp -69.95 -45.32 67.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.132 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.85 -56.03 9.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.923 0.392 . . . . 0.0 111.146 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.515 ' O ' ' HG3' ' A' ' 48' ' ' ARG . 32.2 mm -63.53 -44.73 98.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.536 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.562 ' O ' HG12 ' A' ' 49' ' ' VAL . . . -61.82 -43.57 99.04 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.493 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.794 ' CE1' HG21 ' A' ' 50' ' ' VAL . 39.7 t80 -63.62 -50.15 70.5 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.778 0.323 . . . . 0.0 111.047 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.476 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 0.1 OUTLIER -64.2 -27.94 69.41 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.04 0.447 . . . . 0.0 110.623 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.515 ' HG3' ' O ' ' A' ' 44' ' ' ILE . 0.0 OUTLIER -69.99 -59.62 2.8 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.798 179.639 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.67 HG13 HG23 ' A' ' 50' ' ' VAL . 9.2 p -75.38 -54.21 14.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.264 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.794 HG21 ' CE1' ' A' ' 46' ' ' PHE . 23.4 t -73.71 -47.53 43.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -179.633 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.476 ' HA3' ' O ' ' A' ' 47' ' ' PHE . . . -59.78 -6.52 5.13 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.29 -0.957 . . . . 0.0 112.497 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 . . . . . 0 C--N 1.332 -0.165 0 CA-C-O 121.283 0.563 . . . . 0.0 110.471 -179.921 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.2 mttp . . . . . 0 CA--C 1.529 0.155 0 CA-C-O 120.688 0.28 . . . . 0.0 111.266 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 68.7 p -72.4 -42.11 65.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.054 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.57 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 9.1 t-20 -64.54 -43.11 95.03 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.06 0.457 . . . . 0.0 110.737 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.514 ' O ' HG23 ' A' ' 22' ' ' VAL . 33.8 mt -67.69 -36.13 80.1 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.303 179.573 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -62.71 -52.56 62.78 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.131 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 17' ' ' ASN . 3.7 pp -61.2 -38.27 85.96 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.679 0.276 . . . . 0.0 110.677 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.426 ' O ' ' HB2' ' A' ' 25' ' ' GLN . 43.3 t-105 -60.75 -55.29 34.88 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.917 179.602 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 18' ' ' LEU . 46.6 t -61.29 -45.39 98.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.34 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.1 -55.34 36.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.762 0.315 . . . . 0.0 111.657 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.91 -44.54 96.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.499 -179.395 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.426 ' HB2' ' O ' ' A' ' 21' ' ' TRP . 2.8 tp60 -63.37 -45.54 90.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.775 0.321 . . . . 0.0 111.212 -179.566 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.484 ' HB2' ' O ' ' A' ' 22' ' ' VAL . 2.4 tpt -66.13 -36.67 83.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.111 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 77.4 mtp -65.01 -52.55 55.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.18 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.6 mtmm -65.89 -52.86 46.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.556 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.409 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . -63.04 -66.89 2.31 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 121.016 -0.612 . . . . 0.0 113.689 -178.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . -60.53 -42.85 97.31 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -178.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.0 -63.72 4.81 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.891 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.662 ' O ' HG23 ' A' ' 36' ' ' VAL . 2.3 t90 -61.88 -60.09 4.16 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -179.381 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 29' ' ' GLY . . . -56.29 -51.77 66.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.627 -179.136 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.17 -45.51 95.88 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.434 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -60.7 -53.0 48.99 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.67 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 32' ' ' TRP . 19.4 t -65.32 -52.21 55.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 111.618 0.229 . . . . 0.0 111.618 -179.639 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -57.63 -58.1 9.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.559 -0.292 . . . . 0.0 111.42 -179.242 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -65.59 -35.91 82.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.759 0.314 . . . . 0.0 111.159 -179.745 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -62.79 -55.84 24.58 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.899 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.504 HG22 ' O ' ' A' ' 36' ' ' VAL . 14.6 t -66.92 -41.91 86.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.761 0.315 . . . . 0.0 111.344 -179.631 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.3 tp -57.78 -50.19 74.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.851 0.357 . . . . 0.0 111.161 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.588 ' O ' ' HB2' ' A' ' 46' ' ' PHE . 1.7 tp -72.98 -44.79 60.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.512 -179.589 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 85.4 mt -68.18 -62.23 1.49 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.734 0.302 . . . . 0.0 111.491 -179.481 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 33.4 mm -64.05 -39.1 84.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.267 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.2 -50.28 66.69 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.789 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.588 ' HB2' ' O ' ' A' ' 42' ' ' LEU . 0.3 OUTLIER -64.51 -46.2 83.97 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.661 0.267 . . . . 0.0 111.047 -179.744 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.99 -33.92 77.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.935 0.398 . . . . 0.0 110.581 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.826 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 22.6 ttp180 -67.64 -49.51 62.57 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.211 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.557 HG23 ' N ' ' A' ' 50' ' ' VAL . 35.4 m -72.31 -50.81 33.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 121.125 -0.23 . . . . 0.0 111.386 -179.612 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.557 ' N ' HG23 ' A' ' 49' ' ' VAL . 41.9 t -67.02 -50.66 62.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.785 0.326 . . . . 0.0 110.747 179.687 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.1 -21.6 61.79 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.789 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.826 ' HB2' ' O ' ' A' ' 48' ' ' ARG . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 N-CA-C 111.617 0.228 . . . . 0.0 111.617 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.954 ' HB2' ' HB2' ' A' ' 19' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.445 -0.682 0 CA-C-O 120.331 0.11 . . . . 0.0 110.85 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.634 ' H ' ' HG2' ' A' ' 15' ' ' LYS . 55.3 m 27.49 -96.13 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 179.219 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.531 ' O ' ' HB2' ' A' ' 21' ' ' TRP . 4.3 m-20 -66.35 -38.42 87.57 Favored 'General case' 0 N--CA 1.462 0.134 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -179.023 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.591 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.1 tt -62.99 -54.83 32.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.792 0.329 . . . . 0.0 110.986 -179.626 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.954 ' HB2' ' HB2' ' A' ' 15' ' ' LYS . 15.4 tpt85 -59.87 -46.09 90.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.052 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.573 ' HG ' ' CD2' ' A' ' 24' ' ' PHE . 6.3 tp -63.58 -41.36 98.38 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.471 -179.452 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.531 ' HB2' ' O ' ' A' ' 17' ' ' ASN . 0.1 OUTLIER -62.54 -51.52 67.06 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.804 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 18' ' ' LEU . 40.9 t -60.72 -50.37 80.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.49 -179.626 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.58 -53.02 62.89 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -179.258 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.573 ' CD2' ' HG ' ' A' ' 20' ' ' LEU . 8.1 m-85 -63.53 -49.91 71.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.854 -179.133 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.439 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 26.8 tt0 -61.22 -44.53 97.13 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.575 -179.014 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.425 ' HB2' ' O ' ' A' ' 22' ' ' VAL . 4.6 tmm? -66.62 -54.21 25.78 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.744 0.306 . . . . 0.0 111.327 -179.737 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -67.44 -64.36 0.87 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -179.202 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.0 tttm -65.45 -42.71 92.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.289 -0.414 . . . . 0.0 112.046 -178.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.439 ' HA3' ' O ' ' A' ' 25' ' ' GLN . . . -61.22 -67.52 2.08 Favored Glycine 0 N--CA 1.454 -0.151 0 C-N-CA 120.48 -0.867 . . . . 0.0 112.535 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.73 -35.36 79.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.806 0.336 . . . . 0.0 111.044 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.99 -65.31 3.39 Favored Glycine 0 C--N 1.331 0.275 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.968 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 43.3 t90 -61.31 -54.28 45.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.756 0.312 . . . . 0.0 111.126 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.749 ' O ' ' HB2' ' A' ' 37' ' ' PHE . . . -55.85 -70.13 0.12 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.373 -179.38 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.743 ' O ' ' HB2' ' A' ' 38' ' ' PHE . . . -59.04 -39.07 93.85 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.385 -0.912 . . . . 0.0 112.404 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.42 -67.33 2.16 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.774 -0.727 . . . . 0.0 113.315 -179.46 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.5 t -63.23 -47.86 90.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 -178.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.749 ' HB2' ' O ' ' A' ' 33' ' ' ALA . 0.1 OUTLIER -58.95 -54.7 44.14 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 111.634 0.235 . . . . 0.0 111.634 -179.123 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.743 ' HB2' ' O ' ' A' ' 34' ' ' GLY . 9.3 m-85 -65.42 -39.23 91.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.68 0.276 . . . . 0.0 110.722 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.81 -61.28 7.38 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.401 -0.904 . . . . 0.0 112.123 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.507 ' O ' HG12 ' A' ' 44' ' ' ILE . 3.1 m -56.94 -52.89 63.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.68 0.276 . . . . 0.0 110.889 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.1 tp -52.44 -53.72 41.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.432 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.554 ' HB2' ' O ' ' A' ' 38' ' ' PHE . 1.1 tp -62.16 -34.71 76.92 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.835 0.35 . . . . 0.0 110.926 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.615 ' O ' ' HB2' ' A' ' 47' ' ' PHE . 2.5 mp -66.35 -50.73 62.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.59 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.507 HG12 ' O ' ' A' ' 40' ' ' THR . 43.0 mm -62.64 -37.04 77.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.871 0.367 . . . . 0.0 110.809 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.807 ' O ' HG22 ' A' ' 49' ' ' VAL . . . -64.92 -56.32 17.02 Favored Glycine 0 CA--C 1.519 0.316 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.609 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -65.85 -39.73 91.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.851 0.357 . . . . 0.0 111.219 -179.67 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.615 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 6.4 m-85 -69.72 -38.02 76.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.635 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.678 ' HG2' ' O ' ' A' ' 45' ' ' GLY . 4.6 ptm180 -68.0 -40.89 82.95 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 121.176 -0.21 . . . . 0.0 110.835 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.807 HG22 ' O ' ' A' ' 45' ' ' GLY . 1.8 m -71.43 -58.03 6.13 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.245 179.666 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.502 ' H ' HG23 ' A' ' 49' ' ' VAL . 42.2 t -67.42 -35.82 74.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.244 0.545 . . . . 0.0 110.941 179.449 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.439 ' HA3' ' O ' ' A' ' 47' ' ' PHE . . . -67.95 -32.85 78.01 Favored Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.319 -0.855 . . . . 0.0 112.48 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.444 0 CA-C-O 120.71 0.29 . . . . 0.0 111.318 -179.307 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 120.8 0.333 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -161.33 -72.05 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.056 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.7 tttp -92.0 -37.8 12.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.095 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.3 m -69.66 115.56 9.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.855 -179.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.455 HG22 ' O ' ' A' ' 5' ' ' ILE . 30.2 mm 46.73 55.39 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.564 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -156.75 -75.06 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.162 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 72.64 -76.36 0.07 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.116 -179.455 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.583 ' O ' ' HB2' ' A' ' 9' ' ' HIS . 0.6 OUTLIER 60.66 145.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.415 179.329 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.583 ' HB2' ' O ' ' A' ' 8' ' ' ASP . 11.0 m80 75.72 155.06 0.16 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.745 -0.662 . . . . 0.0 111.679 179.446 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 mp -73.25 -31.08 63.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.396 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.401 ' O ' ' N ' ' A' ' 13' ' ' ASN . 1.0 OUTLIER 60.08 32.76 21.12 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.598 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 68.09 -66.45 0.22 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.618 -179.683 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.425 ' HB3' ' OG1' ' A' ' 16' ' ' THR . 1.1 t-20 54.62 93.52 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.428 179.477 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -54.32 -42.72 65.11 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.469 2.113 . . . . 0.0 112.049 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.659 ' O ' ' HD3' ' A' ' 19' ' ' ARG . 6.7 tttp -56.14 -40.58 74.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.753 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.425 ' OG1' ' HB3' ' A' ' 13' ' ' ASN . 2.7 m -70.72 -42.11 71.01 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.895 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -65.62 -40.92 93.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.858 0.361 . . . . 0.0 110.72 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.648 ' O ' HG23 ' A' ' 22' ' ' VAL . 7.5 tt -61.79 -46.67 88.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.82 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.659 ' HD3' ' O ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -63.56 -40.63 97.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.553 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.66 -46.31 86.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.032 0.444 . . . . 0.0 110.562 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 13.6 t-105 -61.42 -54.42 43.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.06 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 18' ' ' LEU . 27.9 t -61.73 -40.33 86.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.073 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.79 -49.08 78.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.046 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -64.55 -45.6 86.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -61.14 -46.37 90.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.939 -179.503 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.406 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 6.1 mmm -67.34 -48.02 68.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.327 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.7 mtp -63.73 -61.39 2.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.647 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.28 -43.22 95.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.873 0.368 . . . . 0.0 110.838 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.667 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . -63.82 -66.08 2.71 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.881 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . -62.45 -48.41 79.78 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -179.388 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.77 -69.94 1.13 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.59 -0.815 . . . . 0.0 113.087 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.464 ' O ' HG23 ' A' ' 36' ' ' VAL . 1.0 OUTLIER -57.05 -64.66 0.81 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -179.327 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.667 ' HB3' ' O ' ' A' ' 29' ' ' GLY . . . -55.99 -65.14 0.65 Allowed 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -178.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.519 ' O ' ' HB2' ' A' ' 38' ' ' PHE . . . -61.19 -41.89 99.62 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.552 -0.832 . . . . 0.0 112.995 -179.361 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -60.75 -60.39 8.54 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.531 -0.842 . . . . 0.0 113.027 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 32' ' ' TRP . 24.0 t -63.31 -52.13 62.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -179.284 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.81 ' O ' ' HB2' ' A' ' 41' ' ' LEU . 1.7 t80 -59.84 -64.99 0.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.475 -179.249 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.524 ' O ' ' HB2' ' A' ' 42' ' ' LEU . 0.1 OUTLIER -64.31 -45.31 88.49 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.523 0.201 . . . . 0.0 111.368 -179.42 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.84 -62.63 5.88 Favored Glycine 0 CA--C 1.52 0.37 0 C-N-CA 120.755 -0.736 . . . . 0.0 113.467 -179.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.553 HG22 HG12 ' A' ' 44' ' ' ILE . 2.4 m -59.99 -57.43 12.88 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 -179.241 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.81 ' HB2' ' O ' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -48.33 -44.41 34.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.59 -179.446 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.524 ' HB2' ' O ' ' A' ' 38' ' ' PHE . 6.5 mp -68.79 -46.91 67.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.706 0.289 . . . . 0.0 111.356 -179.648 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.531 ' O ' ' HB2' ' A' ' 47' ' ' PHE . 0.4 OUTLIER -65.87 -68.02 0.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.136 -179.398 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.808 ' O ' ' HB2' ' A' ' 48' ' ' ARG . 1.4 pt -64.54 -35.07 73.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -179.4 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.473 ' N ' HG13 ' A' ' 44' ' ' ILE . . . -63.5 -57.69 13.96 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.333 -0.937 . . . . 0.0 112.901 -179.7 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.633 ' CE1' HG21 ' A' ' 50' ' ' VAL . 27.4 t80 -65.72 -41.94 91.68 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -179.286 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.531 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -66.82 -43.15 84.53 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 121.053 -0.259 . . . . 0.0 111.264 -179.635 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.808 ' HB2' ' O ' ' A' ' 44' ' ' ILE . 2.1 mtp85 -67.42 -38.7 85.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.588 0.232 . . . . 0.0 111.556 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.667 HG23 ' CD ' ' A' ' 55' ' ' PRO . 10.2 p -71.63 -51.1 34.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 120.84 -0.344 . . . . 0.0 111.658 -179.128 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.633 HG21 ' CE1' ' A' ' 46' ' ' PHE . 21.8 t -71.09 -42.21 76.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.93 0.395 . . . . 0.0 111.658 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -65.97 -57.51 10.68 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 121.114 -0.565 . . . . 0.0 113.013 -179.231 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.534 ' HB2' ' O ' ' A' ' 48' ' ' ARG . 0.5 OUTLIER -79.81 -20.47 46.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.562 0.22 . . . . 0.0 111.432 -179.457 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 64.6 34.92 9.5 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.315 0.579 . . . . 0.0 109.621 -179.01 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.505 ' N ' ' HD2' ' A' ' 55' ' ' PRO . 14.2 tp -42.71 -56.36 6.05 Favored Pre-proline 0 CA--C 1.532 0.262 0 CA-C-N 115.287 -0.869 . . . . 0.0 112.547 -179.361 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.667 ' CD ' HG23 ' A' ' 49' ' ' VAL . 9.2 Cg_endo -53.36 94.59 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.387 2.058 . . . . 0.0 113.004 -179.243 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.52 HG22 ' N ' ' A' ' 57' ' ' GLN . 21.9 mt 64.12 160.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.055 178.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.631 ' O ' ' HB2' ' A' ' 58' ' ' GLU . 74.7 mt-30 71.14 -79.22 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.992 179.285 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.631 ' HB2' ' O ' ' A' ' 57' ' ' GLN . 69.6 mt-10 79.71 -79.61 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.72 -179.356 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -154.42 -43.2 0.09 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.389 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.499 ' HB3' ' H ' ' A' ' 61' ' ' ALA . 14.7 mt-30 -147.6 -130.68 0.06 Allowed 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.459 -179.653 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.499 ' H ' ' HB3' ' A' ' 60' ' ' GLN . . . -164.15 122.3 1.21 Allowed Pre-proline 0 N--CA 1.453 -0.282 0 O-C-N 122.357 -0.214 . . . . 0.0 110.436 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -50.29 -15.79 1.61 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.456 2.104 . . . . 0.0 112.816 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.44 144.25 97.67 Favored Pre-proline 0 C--N 1.333 -0.139 0 CA-C-O 120.69 0.281 . . . . 0.0 111.08 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.478 ' HB2' HD11 ' A' ' 66' ' ' ILE . 94.4 Cg_exo -43.03 -30.41 1.92 Allowed 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.907 2.405 . . . . 0.0 112.817 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.445 ' C ' HD12 ' A' ' 66' ' ' ILE . 1.7 m-80 65.81 -77.0 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.82 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.478 HD11 ' HB2' ' A' ' 64' ' ' PRO . 2.6 mp 75.09 -53.76 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.96 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.0 t -175.39 46.59 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.862 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.85 -116.34 5.55 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.625 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -175.97 -51.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.734 0.302 . . . . 0.0 111.009 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.545 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 0.6 OUTLIER -173.3 106.41 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.163 0.506 . . . . 0.0 111.085 179.742 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.79 -38.46 83.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.2 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -170.8 44.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.9 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 2.9 m80 59.98 105.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.982 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 33.2 p-80 -123.9 173.65 8.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.922 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -152.94 102.74 2.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.743 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -84.19 -25.67 29.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.254 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.883 -179.907 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.863 0.363 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -68.91 -40.98 78.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.029 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt 62.23 -85.31 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.819 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.426 HG22 ' H ' ' A' ' 5' ' ' ILE . 0.2 OUTLIER -74.64 -161.36 0.13 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.84 -0.164 . . . . 0.0 110.709 179.801 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.426 ' H ' HG22 ' A' ' 4' ' ' THR . 1.5 tt 38.43 33.14 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 120.904 0.383 . . . . 0.0 111.511 -179.547 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 32.9 p90 -86.76 -59.79 2.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.515 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.534 ' O ' ' HB2' ' A' ' 8' ' ' ASP . 0.6 OUTLIER 77.38 -50.77 0.54 Allowed 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.821 -0.172 . . . . 0.0 111.462 179.817 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.595 ' O ' ' HB2' ' A' ' 9' ' ' HIS . 54.5 m-20 86.64 107.56 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 122.982 0.513 . . . . 0.0 110.892 -179.577 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.595 ' HB2' ' O ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER 84.89 -23.32 0.17 Allowed 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.512 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.45 ' HB2' ' O ' ' A' ' 9' ' ' HIS . 0.2 OUTLIER 82.23 -9.25 1.2 Allowed 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 122.418 0.287 . . . . 0.0 111.33 -179.632 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.646 ' O ' HG22 ' A' ' 12' ' ' THR . 5.3 t-20 59.71 148.53 0.01 OUTLIER 'General case' 0 C--O 1.227 -0.13 0 CA-C-O 120.616 0.246 . . . . 0.0 110.92 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.646 HG22 ' O ' ' A' ' 11' ' ' ASN . 0.5 OUTLIER 66.96 -16.94 0.13 Allowed 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 179.789 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.461 ' H ' ' C ' ' A' ' 11' ' ' ASN . 2.4 m-80 39.78 73.15 0.87 Allowed Pre-proline 0 N--CA 1.465 0.288 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -81.87 -47.29 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.714 2.276 . . . . 0.0 112.778 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.3 tttt -62.14 -39.84 93.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.379 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.414 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 0.7 OUTLIER -71.08 -43.17 68.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.156 -179.569 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -64.41 -50.24 68.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.815 0.341 . . . . 0.0 110.96 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.497 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.8 tt -59.45 -49.56 77.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.292 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 19' ' ' ARG . 0.3 OUTLIER -61.91 -50.07 73.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.073 -179.57 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.534 ' O ' ' HB2' ' A' ' 24' ' ' PHE . 2.6 tp -59.93 -39.59 86.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.811 0.339 . . . . 0.0 110.793 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.497 ' O ' ' HB2' ' A' ' 25' ' ' GLN . 0.7 OUTLIER -60.59 -59.35 5.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.072 -179.897 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 18' ' ' LEU . 21.0 t -60.04 -46.36 94.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.686 -179.537 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.1 -55.04 38.84 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -179.513 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.534 ' HB2' ' O ' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -62.42 -40.63 97.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.653 0.263 . . . . 0.0 111.376 -179.424 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.497 ' HB2' ' O ' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -63.19 -54.56 35.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.477 -179.512 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.5 ttt -67.49 -51.47 50.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.743 -179.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.64 -65.14 0.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -179.007 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.421 ' HD2' ' CD2' ' A' ' 24' ' ' PHE . 0.6 OUTLIER -64.29 -38.21 90.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.444 -179.169 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.456 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . -61.6 -66.56 2.57 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.418 -0.896 . . . . 0.0 112.379 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.446 ' O ' ' HA3' ' A' ' 34' ' ' GLY . . . -58.63 -39.01 79.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.933 0.397 . . . . 0.0 110.757 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.88 -77.76 0.23 Allowed Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.764 -0.731 . . . . 0.0 113.065 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 14.5 t90 -57.03 -67.15 0.34 Allowed 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -178.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 29' ' ' GLY . . . -54.37 -37.13 64.63 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.664 0.268 . . . . 0.0 111.035 -178.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.446 ' HA3' ' O ' ' A' ' 30' ' ' ALA . . . -61.56 -51.14 59.67 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.091 -1.052 . . . . 0.0 111.863 179.203 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.14 -59.19 9.36 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.983 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.4 t -60.65 -53.72 45.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -179.167 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.63 ' O ' ' HB2' ' A' ' 41' ' ' LEU . 20.6 t80 -59.14 -67.01 0.41 Allowed 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.64 0.237 . . . . 0.0 111.64 -178.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.685 ' O ' ' HB2' ' A' ' 42' ' ' LEU . 93.9 m-85 -63.3 -44.55 94.69 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.922 -0.311 . . . . 0.0 111.191 -179.455 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.542 ' O ' HD23 ' A' ' 43' ' ' LEU . . . -59.5 -59.71 10.11 Favored Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.38 -0.914 . . . . 0.0 112.933 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 28.7 m -60.17 -49.77 76.3 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.63 ' HB2' ' O ' ' A' ' 37' ' ' PHE . 2.5 tp -60.08 -44.6 94.67 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.674 0.25 . . . . 0.0 111.674 -179.31 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.685 ' HB2' ' O ' ' A' ' 38' ' ' PHE . 0.7 OUTLIER -64.94 -39.49 93.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.644 0.259 . . . . 0.0 111.053 -179.686 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.542 HD23 ' O ' ' A' ' 39' ' ' GLY . 3.7 mm? -68.47 -52.77 28.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.201 -179.579 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.591 ' O ' ' HB2' ' A' ' 48' ' ' ARG . 1.9 pp -64.66 -44.04 96.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.315 -179.784 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.71 -51.31 58.29 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.915 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.512 ' O ' ' HB ' ' A' ' 50' ' ' VAL . 3.4 m-85 -63.35 -52.39 61.97 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.723 0.296 . . . . 0.0 111.632 -179.374 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -64.02 -51.23 65.18 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -178.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.591 ' HB2' ' O ' ' A' ' 44' ' ' ILE . 11.1 mtt180 -69.06 -52.39 29.0 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -179.341 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 15.3 t -73.43 -64.59 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -178.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.512 ' HB ' ' O ' ' A' ' 46' ' ' PHE . 19.0 t -65.72 -43.9 93.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.61 0.243 . . . . 0.0 111.572 -179.293 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.546 ' O ' ' HG3' ' A' ' 55' ' ' PRO . . . -62.56 -40.13 98.74 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.479 -0.867 . . . . 0.0 112.85 -179.698 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.43 ' HB2' ' O ' ' A' ' 48' ' ' ARG . 6.0 ttp-105 -85.71 -34.35 21.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 122.626 -0.338 . . . . 0.0 111.441 -179.676 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 1.5 ttm -80.76 -56.93 3.81 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -179.334 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.643 HD23 ' HA ' ' A' ' 57' ' ' GLN . 0.2 OUTLIER -159.95 90.1 1.84 Allowed Pre-proline 0 C--N 1.33 -0.253 0 N-CA-C 111.641 0.237 . . . . 0.0 111.641 -179.468 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.546 ' HG3' ' O ' ' A' ' 51' ' ' GLY . 26.4 Cg_exo -61.45 90.62 0.1 Allowed 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.433 2.089 . . . . 0.0 111.957 179.51 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 6.7 mm 56.11 35.2 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.835 0.35 . . . . 0.0 110.807 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.643 ' HA ' HD23 ' A' ' 54' ' ' LEU . 4.6 pt20 38.63 42.22 0.57 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.497 -179.621 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 48.4 83.09 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.402 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -86.05 -50.24 7.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.78 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.4 122.13 30.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.819 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.415 ' N ' ' HD3' ' A' ' 62' ' ' PRO . . . -165.86 61.84 0.75 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.01 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.415 ' HD3' ' N ' ' A' ' 61' ' ' ALA . 52.3 Cg_exo -52.73 -48.82 19.99 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.625 2.217 . . . . 0.0 112.77 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 49.13 79.37 0.35 Allowed Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 120.816 0.341 . . . . 0.0 111.109 -179.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -52.88 -34.62 66.89 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.745 2.297 . . . . 0.0 112.178 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.775 ' O ' HG22 ' A' ' 66' ' ' ILE . 3.1 t-20 -84.64 -54.11 4.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.337 179.697 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.775 HG22 ' O ' ' A' ' 65' ' ' ASN . 0.9 OUTLIER 85.73 -25.05 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.692 179.809 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.568 HG23 ' C ' ' A' ' 66' ' ' ILE . 2.3 p 85.41 -61.75 0.07 Allowed 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 122.964 0.506 . . . . 0.0 110.959 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.54 -175.85 29.52 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.151 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.485 ' O ' ' CB ' ' A' ' 70' ' ' LEU . . . -176.92 79.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.543 0.211 . . . . 0.0 111.092 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.485 ' CB ' ' O ' ' A' ' 69' ' ' ALA . 1.5 mt 91.52 -20.14 0.12 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.41 179.732 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -67.32 -13.98 62.5 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.211 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -86.41 89.94 8.04 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.744 0.307 . . . . 0.0 111.223 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -92.81 90.38 7.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.646 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 18.8 t-160 -139.93 -59.84 0.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.064 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 61.4 97.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.746 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.71 -35.68 81.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.017 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.601 ' O ' HD11 ' A' ' 5' ' ' ILE . . . . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 121.023 0.439 . . . . 0.0 111.733 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 64.51 9.58 5.15 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 179.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.404 ' O ' HG23 ' A' ' 4' ' ' THR . 0.0 OUTLIER 56.97 41.67 27.37 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 111.649 0.241 . . . . 0.0 111.649 179.255 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.539 ' O ' HG13 ' A' ' 5' ' ' ILE . 0.1 OUTLIER -164.96 94.73 0.67 Allowed 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 120.679 0.276 . . . . 0.0 111.561 179.715 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.638 HG22 ' O ' ' A' ' 5' ' ' ILE . 3.4 mp -156.1 27.46 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.661 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.419 ' O ' ' HB2' ' A' ' 7' ' ' ASN . 11.1 t80 -155.03 92.39 1.44 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.785 0.326 . . . . 0.0 110.68 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.526 ' HA ' HD21 ' A' ' 10' ' ' LEU . 89.3 m-20 67.23 167.6 0.24 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.865 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.415 ' O ' ' HB3' ' A' ' 9' ' ' HIS . 2.5 t70 75.66 110.06 0.07 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.579 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.415 ' HB3' ' O ' ' A' ' 8' ' ' ASP . 11.7 t-160 79.26 -62.96 0.28 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.283 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.526 HD21 ' HA ' ' A' ' 7' ' ' ASN . 97.0 mt 62.02 100.65 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.256 179.582 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -76.82 -51.5 11.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.388 179.496 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.6 p -85.13 134.34 34.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.597 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.506 ' HA ' HG23 ' A' ' 16' ' ' THR . 20.3 m-20 64.21 59.56 1.64 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.145 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.447 ' HD3' ' N ' ' A' ' 13' ' ' ASN . 52.2 Cg_exo -54.56 -42.16 70.68 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.227 1.951 . . . . 0.0 111.675 179.746 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.838 ' HB2' ' HB2' ' A' ' 19' ' ' ARG . 55.3 mmtt -145.27 -39.42 0.25 Allowed 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.015 -179.563 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.506 HG23 ' HA ' ' A' ' 13' ' ' ASN . 82.0 p 36.91 -95.72 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.492 ' O ' ' HB2' ' A' ' 21' ' ' TRP . 30.3 m120 -62.93 -42.68 99.88 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 120.732 0.301 . . . . 0.0 110.617 -179.492 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.452 ' O ' HG23 ' A' ' 22' ' ' VAL . 95.9 mt -66.58 -35.35 79.99 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.132 179.311 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.838 ' HB2' ' HB2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -61.77 -64.47 0.93 Allowed 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.272 0.558 . . . . 0.0 110.716 179.542 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.408 ' O ' ' HB2' ' A' ' 24' ' ' PHE . 3.5 pp -59.68 -31.75 69.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.171 -179.24 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.492 ' HB2' ' O ' ' A' ' 17' ' ' ASN . 13.3 t90 -61.59 -61.9 2.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.702 0.287 . . . . 0.0 110.986 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 18' ' ' LEU . 21.4 t -63.08 -46.43 96.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.52 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.519 ' O ' ' HB2' ' A' ' 27' ' ' MET . . . -56.92 -56.06 26.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.86 0.362 . . . . 0.0 111.221 -179.648 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.698 ' O ' ' HB3' ' A' ' 28' ' ' LYS . 6.4 m-85 -61.3 -35.9 78.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.93 0.395 . . . . 0.0 110.941 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -60.53 -63.87 1.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.064 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 21.2 mmt -69.1 -53.91 17.79 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.519 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -65.88 -64.87 0.76 Allowed 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -178.526 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.698 ' HB3' ' O ' ' A' ' 24' ' ' PHE . 7.8 tttp -63.67 -38.1 89.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.823 -0.171 . . . . 0.0 111.121 -178.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.8 -66.54 2.57 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.497 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.18 -42.83 99.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.86 0.362 . . . . 0.0 110.566 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.463 ' O ' ' HA3' ' A' ' 35' ' ' GLY . . . -59.73 -37.76 92.87 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.573 -0.822 . . . . 0.0 111.903 179.482 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.625 ' HB3' ' O ' ' A' ' 28' ' ' LYS . 0.4 OUTLIER -62.67 -66.16 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.788 0.328 . . . . 0.0 110.501 179.629 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.482 ' N ' ' CG ' ' A' ' 32' ' ' TRP . . . -58.9 -61.45 2.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.0 0.429 . . . . 0.0 110.98 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.448 ' O ' ' HB2' ' A' ' 38' ' ' PHE . . . -59.07 -44.16 96.5 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.685 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.463 ' HA3' ' O ' ' A' ' 31' ' ' GLY . . . -59.36 -52.85 50.74 Favored Glycine 0 CA--C 1.517 0.215 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.997 -179.562 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.509 ' O ' HG23 ' A' ' 40' ' ' THR . 51.0 t -66.76 -47.54 82.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.654 0.264 . . . . 0.0 111.297 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.614 ' O ' ' HB2' ' A' ' 41' ' ' LEU . 15.0 m-85 -60.11 -62.23 2.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.96 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.531 ' O ' HD23 ' A' ' 42' ' ' LEU . 6.4 m-85 -64.23 -38.7 91.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.754 0.311 . . . . 0.0 111.123 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.5 -63.82 4.78 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.35 -0.929 . . . . 0.0 112.965 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.509 HG23 ' O ' ' A' ' 36' ' ' VAL . 22.4 p -60.54 -45.4 94.02 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.798 0.295 . . . . 0.0 111.798 -179.476 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.614 ' HB2' ' O ' ' A' ' 37' ' ' PHE . 3.8 tp -60.56 -46.21 91.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.645 -179.289 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.531 HD23 ' O ' ' A' ' 38' ' ' PHE . 4.1 mm? -66.07 -42.81 88.91 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -179.445 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.98 -55.54 12.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.674 0.273 . . . . 0.0 111.233 -179.317 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.411 HG12 ' O ' ' A' ' 40' ' ' THR . 28.3 mm -65.6 -47.97 84.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.271 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -60.44 -53.19 47.58 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.944 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -62.35 -48.76 78.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.877 0.37 . . . . 0.0 110.964 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -64.88 -32.12 73.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.125 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 48' ' ' ARG . 7.3 mtm180 -66.86 -52.33 44.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.512 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.639 ' O ' ' HA ' ' A' ' 53' ' ' MET . 17.2 t -72.98 -53.34 18.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.724 -179.197 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 26.4 t -64.96 -41.75 92.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.031 0.443 . . . . 0.0 110.269 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -73.43 -71.98 1.04 Allowed Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 115.733 -0.667 . . . . 0.0 113.868 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.435 ' HB3' ' HD3' ' A' ' 55' ' ' PRO . 6.0 mpt_? -84.57 -26.63 27.85 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -178.304 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.639 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 13.1 tpt 74.52 41.06 0.37 Allowed 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.068 0.461 . . . . 0.0 110.097 -178.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 60.35 80.17 0.27 Allowed Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.45 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.435 ' HD3' ' HB3' ' A' ' 52' ' ' ARG . 58.3 Cg_endo -76.11 -32.6 4.08 Favored 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 122.628 2.219 . . . . 0.0 112.193 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 8.2 pt -80.41 -35.16 15.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.086 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.431 ' O ' ' CB ' ' A' ' 58' ' ' GLU . 0.0 OUTLIER 67.65 37.53 3.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.431 ' CB ' ' O ' ' A' ' 57' ' ' GLN . 0.1 OUTLIER 83.31 172.67 0.09 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.026 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -86.94 -39.4 15.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.247 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -89.91 -100.74 0.1 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.223 -179.432 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 58.63 161.37 0.09 OUTLIER Pre-proline 0 C--O 1.232 0.133 0 CA-C-O 120.833 0.349 . . . . 0.0 110.967 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.623 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 54.3 Cg_exo -52.79 -22.21 17.15 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.537 2.158 . . . . 0.0 112.338 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.623 ' HB3' ' O ' ' A' ' 62' ' ' PRO . . . 87.88 104.73 0.03 OUTLIER Pre-proline 0 N--CA 1.466 0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -74.99 -167.04 0.38 Allowed 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.561 2.174 . . . . 0.0 112.609 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 58.68 35.38 24.41 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.507 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.565 HG13 ' H ' ' A' ' 67' ' ' THR . 3.7 pt -74.25 -52.71 19.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.332 -179.536 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.565 ' H ' HG13 ' A' ' 66' ' ' ILE . 0.2 OUTLIER 77.27 -5.86 2.1 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.254 -179.879 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -176.62 144.14 6.75 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.934 -0.65 . . . . 0.0 112.079 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -176.72 -35.68 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.82 0.343 . . . . 0.0 111.078 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.0 tt -63.95 -48.9 74.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.67 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -174.56 157.76 2.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.949 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -125.02 121.0 33.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.802 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -169.81 -68.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.115 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -77.45 177.08 8.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 62.37 18.94 10.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.134 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -169.37 61.77 0.05 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.921 0.391 . . . . 0.0 110.825 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.211 -0.899 . . . . 0.0 110.965 -179.945 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.869 0.366 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -60.52 -31.29 70.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.611 ' O ' HG23 ' A' ' 4' ' ' THR . 0.0 OUTLIER -54.22 116.98 2.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.998 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.611 HG23 ' O ' ' A' ' 3' ' ' LYS . 0.6 OUTLIER -167.73 -41.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.366 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 4' ' ' THR . 6.9 pt 34.81 -125.19 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.683 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 67.14 -84.42 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.167 0 O-C-N 122.256 -0.278 . . . . 0.0 111.067 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 -73.95 -34.33 64.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.787 0.327 . . . . 0.0 111.067 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.542 ' O ' ' HB2' ' A' ' 9' ' ' HIS . 0.3 OUTLIER -70.37 -50.86 34.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.056 -179.742 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.542 ' HB2' ' O ' ' A' ' 8' ' ' ASP . 38.9 m80 79.95 -178.11 0.08 Allowed 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.856 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 22.9 mt 75.68 94.46 0.07 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 15.0 p-10 -69.19 -28.6 66.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.929 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 61.5 m 61.34 -103.4 0.14 Allowed 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.062 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.557 ' HB3' HG22 ' A' ' 16' ' ' THR . 0.2 OUTLIER 39.09 95.51 0.04 OUTLIER Pre-proline 0 N--CA 1.467 0.402 0 CA-C-O 120.88 0.371 . . . . 0.0 111.575 -179.844 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -51.5 -41.36 60.64 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.723 2.282 . . . . 0.0 112.915 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.2 -48.48 68.05 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.333 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.557 HG22 ' HB3' ' A' ' 13' ' ' ASN . 4.7 t -73.48 -30.09 62.93 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.693 0.282 . . . . 0.0 111.468 -179.393 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -62.71 -57.24 11.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.793 0.33 . . . . 0.0 110.933 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.56 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -62.77 -39.76 95.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 40.6 ttt180 -61.83 -50.9 70.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.896 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.542 HD12 ' O ' ' A' ' 16' ' ' THR . 0.2 OUTLIER -62.03 -39.8 93.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.048 179.877 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.59 -54.45 42.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.1 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 18' ' ' LEU . 43.3 t -62.51 -43.6 98.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.114 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.18 -50.84 72.1 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.757 0.313 . . . . 0.0 111.087 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.404 ' O ' ' HB2' ' A' ' 28' ' ' LYS . 0.6 OUTLIER -62.57 -42.81 99.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.11 -179.849 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -63.16 -46.08 88.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.249 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -43.43 79.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.247 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.462 ' O ' ' HA3' ' A' ' 31' ' ' GLY . 15.6 mtt -64.73 -56.17 15.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.017 -179.652 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 24' ' ' PHE . 2.6 mttt -65.87 -50.93 62.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.818 0.342 . . . . 0.0 110.636 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.763 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . -57.98 -74.1 0.38 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.644 -179.67 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.435 ' O ' ' HA3' ' A' ' 34' ' ' GLY . . . -59.04 -29.11 67.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.795 0.298 . . . . 0.0 111.085 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.462 ' HA3' ' O ' ' A' ' 27' ' ' MET . . . -62.77 -77.65 0.2 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.971 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.477 ' CG ' ' N ' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -74.42 -51.06 16.04 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 111.594 0.22 . . . . 0.0 111.594 -179.128 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.763 ' HB3' ' O ' ' A' ' 29' ' ' GLY . . . -57.79 -40.67 80.4 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 179.533 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.526 ' O ' ' HB2' ' A' ' 38' ' ' PHE . . . -65.18 -41.85 96.72 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.411 -0.9 . . . . 0.0 111.703 178.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -60.33 -46.4 94.36 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.298 -0.953 . . . . 0.0 112.036 179.405 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 32' ' ' TRP . 37.9 t -68.19 -52.88 33.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.891 0.377 . . . . 0.0 111.254 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.558 ' O ' ' HB2' ' A' ' 41' ' ' LEU . 7.1 t80 -60.24 -59.4 5.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.079 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.719 ' O ' ' HB2' ' A' ' 42' ' ' LEU . 0.1 OUTLIER -63.74 -47.19 82.04 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.626 -179.811 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -61.75 -66.44 2.64 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.926 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 17.3 m -50.5 -56.16 12.82 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.689 0.281 . . . . 0.0 111.655 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.819 HD12 HD11 ' A' ' 44' ' ' ILE . 6.2 tp -55.44 -39.28 70.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.532 -179.351 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.719 ' HB2' ' O ' ' A' ' 38' ' ' PHE . 0.2 OUTLIER -65.88 -42.01 90.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.639 0.256 . . . . 0.0 110.642 179.755 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.24 -51.92 52.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.108 -179.458 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.819 HD11 HD12 ' A' ' 41' ' ' LEU . 0.8 OUTLIER -63.04 -44.61 99.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.612 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.95 -42.33 99.7 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.482 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.587 ' HB2' ' O ' ' A' ' 42' ' ' LEU . 0.1 OUTLIER -63.31 -49.26 74.68 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.962 0.41 . . . . 0.0 110.465 179.86 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -67.33 -29.82 69.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.728 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.576 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -66.76 -49.89 64.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.571 179.554 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.533 HG13 ' N ' ' A' ' 50' ' ' VAL . 9.2 p -72.25 -50.47 35.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.46 -179.625 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.533 ' N ' HG13 ' A' ' 49' ' ' VAL . 41.5 t -67.23 -46.12 84.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.91 0.386 . . . . 0.0 110.751 179.72 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.07 -30.94 77.03 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.394 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.576 ' HB2' ' O ' ' A' ' 48' ' ' ARG . 9.9 mtp180 -80.72 -27.12 37.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.88 0.372 . . . . 0.0 110.643 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.589 ' O ' HG22 ' A' ' 56' ' ' ILE . 0.2 OUTLIER -76.79 -27.89 55.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.992 -179.65 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.427 ' N ' ' HD2' ' A' ' 55' ' ' PRO . 12.8 mt -44.7 -59.57 3.91 Favored Pre-proline 0 CA--C 1.531 0.227 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.431 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.427 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 49.4 Cg_endo -69.26 81.39 0.69 Allowed 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.567 2.178 . . . . 0.0 112.328 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.589 HG22 ' O ' ' A' ' 53' ' ' MET . 10.1 tp -159.08 -25.5 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 CA-C-N 115.891 -0.595 . . . . 0.0 112.465 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -161.63 -31.06 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.538 0.208 . . . . 0.0 111.393 -179.57 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -17.16 63.0 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-O 120.689 0.28 . . . . 0.0 111.026 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -138.59 -6.01 1.54 Allowed 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.828 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.62 ' O ' ' HB3' ' A' ' 61' ' ' ALA . 6.3 mm100 -97.57 -163.09 1.01 Allowed 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 110.502 -0.184 . . . . 0.0 110.502 179.563 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.62 ' HB3' ' O ' ' A' ' 60' ' ' GLN . . . 84.15 129.38 0.03 OUTLIER Pre-proline 0 N--CA 1.465 0.281 0 CA-C-O 120.718 0.294 . . . . 0.0 111.29 179.692 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.6 ' O ' ' HB ' ' A' ' 66' ' ' ILE . 35.1 Cg_endo -65.05 -16.36 54.9 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 123.262 2.641 . . . . 0.0 114.094 -179.047 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.832 ' HB3' ' HD3' ' A' ' 64' ' ' PRO . . . -73.98 -63.18 0.94 Allowed Pre-proline 0 C--N 1.327 -0.399 0 C-N-CA 120.771 -0.372 . . . . 0.0 111.468 -179.676 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.832 ' HD3' ' HB3' ' A' ' 63' ' ' ALA . 77.5 Cg_endo -75.25 132.15 14.79 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.244 2.629 . . . . 0.0 113.341 -179.688 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.1 m120 69.7 -43.71 0.54 Allowed 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.797 0.665 . . . . 0.0 112.797 178.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.635 ' O ' HG23 ' A' ' 67' ' ' THR . 27.3 mm -70.09 -29.81 41.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -179.067 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.635 HG23 ' O ' ' A' ' 66' ' ' ILE . 0.1 OUTLIER -175.13 -93.92 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 111.735 0.272 . . . . 0.0 111.735 179.452 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.55 ' O ' ' HB3' ' A' ' 69' ' ' ALA . . . 97.24 -116.31 5.47 Favored Glycine 0 C--N 1.333 0.389 0 C-N-CA 120.561 -0.828 . . . . 0.0 112.192 -179.542 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' A' ' 68' ' ' GLY . . . 84.01 116.66 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 122.858 0.463 . . . . 0.0 111.382 179.652 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.86 -42.55 85.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -173.43 -36.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.231 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -57.51 87.88 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.789 0.328 . . . . 0.0 111.043 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 58.8 m170 -90.75 173.61 7.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.763 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -118.52 37.44 4.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.039 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -72.37 -55.01 7.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.826 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 62.19 152.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.725 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 43.4 m80 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.238 -0.886 . . . . 0.0 110.751 -179.44 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 120.729 0.299 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.766 ' HA ' HD12 ' A' ' 5' ' ' ILE . 0.6 OUTLIER -85.9 -29.37 23.7 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.004 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.62 -26.19 42.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.184 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.95 -46.54 57.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.814 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.766 HD12 ' HA ' ' A' ' 2' ' ' ASP . 1.0 OUTLIER -73.67 -62.26 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.328 -179.794 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.569 ' O ' ' HB2' ' A' ' 7' ' ' ASN . 0.1 OUTLIER 59.09 -177.31 0.09 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.773 -179.606 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.569 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 17.2 m-80 75.29 -68.58 0.2 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.482 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.1 t70 54.28 34.56 20.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.954 -179.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.413 ' C ' ' H ' ' A' ' 11' ' ' ASN . 0.2 OUTLIER -69.45 -49.8 51.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.902 179.915 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 76.21 -34.13 0.23 Allowed 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.971 -179.363 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.413 ' H ' ' C ' ' A' ' 9' ' ' HIS . 36.3 t30 59.15 -152.05 0.41 Allowed 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.809 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 63.37 27.78 15.39 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-O 120.842 0.353 . . . . 0.0 111.079 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.634 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.4 m120 -72.81 -51.3 6.7 Favored Pre-proline 0 CA--C 1.534 0.354 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.537 179.622 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.634 ' HD2' ' N ' ' A' ' 13' ' ' ASN . 9.9 Cg_endo -51.7 -24.28 17.45 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.753 2.302 . . . . 0.0 112.678 -179.652 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.616 ' O ' ' HB2' ' A' ' 19' ' ' ARG . 2.8 mptt -56.46 -27.43 56.86 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.353 -179.693 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.0 m -72.87 -48.38 37.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.746 0.308 . . . . 0.0 111.293 -179.637 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -64.39 -48.61 74.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.949 0.404 . . . . 0.0 110.921 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.636 ' O ' HG22 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -59.68 -43.23 94.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.219 -179.846 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.616 ' HB2' ' O ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -63.85 -51.73 63.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.559 -179.444 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 75.8 mt -61.81 -41.93 98.38 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.817 0.341 . . . . 0.0 110.765 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 4.0 t-105 -63.06 -51.4 66.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.421 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.636 HG22 ' O ' ' A' ' 18' ' ' LEU . 24.1 m -60.78 -48.3 89.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.523 -179.667 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.506 ' N ' HG23 ' A' ' 22' ' ' VAL . . . -59.37 -42.21 91.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.142 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.69 -43.08 94.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.917 0.389 . . . . 0.0 110.633 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -64.8 -40.28 94.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.917 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.707 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -65.65 -46.87 77.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.228 -179.828 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -53.04 36.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.377 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.474 ' O ' ' HD1' ' A' ' 32' ' ' TRP . 17.7 tttt -66.6 -57.18 7.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.214 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.531 ' HA2' ' CD1' ' A' ' 32' ' ' TRP . . . -59.84 -64.3 4.32 Favored Glycine 0 C--N 1.332 0.328 0 CA-C-N 115.978 -0.556 . . . . 0.0 113.364 -179.54 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.707 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . -62.0 -38.14 87.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.816 0.341 . . . . 0.0 111.563 -179.392 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.63 -54.85 32.39 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.64 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.531 ' CD1' ' HA2' ' A' ' 29' ' ' GLY . 3.3 p-90 -62.22 -50.58 71.2 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 122.846 -0.208 . . . . 0.0 111.444 -179.551 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.466 ' N ' ' CG ' ' A' ' 32' ' ' TRP . . . -55.48 -50.93 68.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.838 0.351 . . . . 0.0 110.805 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.51 ' O ' ' HB2' ' A' ' 38' ' ' PHE . . . -63.08 -37.67 95.32 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.502 -0.856 . . . . 0.0 111.813 179.34 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.66 -52.32 49.54 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.388 -0.911 . . . . 0.0 112.38 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 32' ' ' TRP . 25.8 t -66.03 -48.72 80.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.698 0.285 . . . . 0.0 111.61 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.456 ' O ' ' HB2' ' A' ' 41' ' ' LEU . 5.7 m-85 -61.21 -48.44 81.52 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.003 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.51 ' HB2' ' O ' ' A' ' 34' ' ' GLY . 5.6 t80 -65.02 -47.93 75.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.834 0.349 . . . . 0.0 111.23 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -62.21 -55.42 27.91 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.765 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.46 ' O ' HG12 ' A' ' 44' ' ' ILE . 30.1 m -55.18 -41.5 72.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.676 0.274 . . . . 0.0 111.01 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.456 ' HB2' ' O ' ' A' ' 37' ' ' PHE . 0.7 OUTLIER -63.49 -35.73 81.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.847 0.356 . . . . 0.0 110.827 179.881 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.438 ' O ' ' HB2' ' A' ' 46' ' ' PHE . 1.6 tp -69.95 -45.32 67.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.132 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.85 -56.03 9.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.923 0.392 . . . . 0.0 111.146 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.515 ' O ' ' HG3' ' A' ' 48' ' ' ARG . 32.2 mm -63.53 -44.73 98.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.536 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.562 ' O ' HG12 ' A' ' 49' ' ' VAL . . . -61.82 -43.57 99.04 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.493 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.794 ' CE1' HG21 ' A' ' 50' ' ' VAL . 39.7 t80 -63.62 -50.15 70.5 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.778 0.323 . . . . 0.0 111.047 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.476 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 0.1 OUTLIER -64.2 -27.94 69.41 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.04 0.447 . . . . 0.0 110.623 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.515 ' HG3' ' O ' ' A' ' 44' ' ' ILE . 0.0 OUTLIER -69.99 -59.62 2.8 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.798 179.639 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.67 HG13 HG23 ' A' ' 50' ' ' VAL . 9.2 p -75.38 -54.21 14.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.264 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.794 HG21 ' CE1' ' A' ' 46' ' ' PHE . 23.4 t -73.71 -47.53 43.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -179.633 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.476 ' HA3' ' O ' ' A' ' 47' ' ' PHE . . . -59.78 -6.52 5.13 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.29 -0.957 . . . . 0.0 112.497 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.405 ' O ' ' CG ' ' A' ' 53' ' ' MET . 3.4 ttp180 74.59 42.54 0.29 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.283 0.563 . . . . 0.0 110.471 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.405 ' CG ' ' O ' ' A' ' 52' ' ' ARG . 9.8 ptt? 46.4 28.96 0.79 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.327 -0.852 . . . . 0.0 111.707 179.538 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.613 ' HB3' ' HD3' ' A' ' 55' ' ' PRO . 2.4 tm? -52.35 -49.99 82.16 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.62 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.613 ' HD3' ' HB3' ' A' ' 54' ' ' LEU . 80.8 Cg_exo -46.44 109.28 0.19 Allowed 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.62 2.213 . . . . 0.0 112.964 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.538 HG22 ' N ' ' A' ' 57' ' ' GLN . 26.1 mm 66.5 161.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.535 179.632 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.538 ' N ' HG22 ' A' ' 56' ' ' ILE . 2.5 tp-100 80.46 -39.19 0.16 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.377 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.609 ' HG3' HD22 ' A' ' 54' ' ' LEU . 1.5 tm-20 -69.16 -52.24 30.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.313 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' A' ' 58' ' ' GLU . 27.9 m-20 64.96 8.84 4.95 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.595 -179.669 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 55.18 24.13 6.0 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.69 0.281 . . . . 0.0 111.127 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.427 ' HB1' ' HD2' ' A' ' 62' ' ' PRO . . . 65.02 162.61 0.12 Allowed Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.281 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.546 ' O ' ' HD3' ' A' ' 64' ' ' PRO . 50.6 Cg_exo -55.05 -22.8 32.58 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.99 2.46 . . . . 0.0 112.536 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.971 ' HB3' ' HD3' ' A' ' 64' ' ' PRO . . . 98.31 -68.81 0.0 OUTLIER Pre-proline 0 N--CA 1.473 0.712 0 C-N-CA 124.055 0.942 . . . . 0.0 111.464 -179.656 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.971 ' HD3' ' HB3' ' A' ' 63' ' ' ALA . 12.6 Cg_exo -70.5 55.5 1.59 Allowed 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 122.07 1.847 . . . . 0.0 112.159 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.412 ' C ' HG13 ' A' ' 66' ' ' ILE . 2.0 m120 -86.0 -31.01 22.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.907 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.432 HG22 ' H ' ' A' ' 68' ' ' GLY . 18.0 mt 81.15 144.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.714 -179.686 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.8 t -60.7 -36.94 80.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.864 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.548 ' O ' ' HB3' ' A' ' 69' ' ' ALA . . . -173.35 -168.51 34.59 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.508 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.548 ' HB3' ' O ' ' A' ' 68' ' ' GLY . . . 85.31 -60.17 0.08 Allowed 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 122.897 0.479 . . . . 0.0 110.883 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.601 ' O ' ' HB2' ' A' ' 71' ' ' GLU . 3.9 mm? 67.61 100.97 0.05 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.719 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.601 ' HB2' ' O ' ' A' ' 70' ' ' LEU . 5.1 mm-40 82.97 176.63 0.07 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.759 -179.709 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -112.02 161.59 16.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.645 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -63.62 -74.29 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.943 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 64.68 44.42 3.84 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.919 0.39 . . . . 0.0 110.927 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -127.62 94.15 3.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.012 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -154.74 151.83 29.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.566 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 7.0 p-80 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.976 -179.474 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.691 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.46 48.67 0.26 Allowed 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 120.847 0.356 . . . . 0.0 111.139 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -162.38 96.18 0.95 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.873 0.368 . . . . 0.0 110.57 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -69.9 134.05 48.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.887 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.737 HG13 ' H ' ' A' ' 6' ' ' PHE . 6.8 tp 41.73 -153.14 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.692 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.737 ' H ' HG13 ' A' ' 5' ' ' ILE . 34.8 m-85 59.67 164.51 0.05 Allowed 'General case' 0 C--N 1.331 -0.233 0 O-C-N 122.058 -0.401 . . . . 0.0 110.938 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 60.45 43.32 13.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.762 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -166.62 118.38 0.98 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.963 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -67.38 175.53 2.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.261 -179.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 71.28 -72.75 0.11 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.681 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -56.34 132.82 52.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.119 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.538 ' O ' ' HB2' ' A' ' 13' ' ' ASN . 0.3 OUTLIER 60.33 -138.16 0.64 Allowed 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.808 179.743 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.538 ' HB2' ' O ' ' A' ' 12' ' ' THR . 10.8 m120 73.53 128.56 0.03 OUTLIER Pre-proline 0 N--CA 1.462 0.159 0 CA-C-O 120.66 0.267 . . . . 0.0 111.04 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -61.18 -24.92 80.04 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.517 2.145 . . . . 0.0 112.145 179.621 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.2 mttp -46.45 -39.68 11.02 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.266 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 68.7 p -72.4 -42.11 65.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.054 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.57 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 9.1 t-20 -64.54 -43.11 95.03 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.06 0.457 . . . . 0.0 110.737 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.514 ' O ' HG23 ' A' ' 22' ' ' VAL . 33.8 mt -67.69 -36.13 80.1 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.303 179.573 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -62.71 -52.56 62.78 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.131 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 17' ' ' ASN . 3.7 pp -61.2 -38.27 85.96 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.679 0.276 . . . . 0.0 110.677 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.426 ' O ' ' HB2' ' A' ' 25' ' ' GLN . 43.3 t-105 -60.75 -55.29 34.88 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.917 179.602 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 18' ' ' LEU . 46.6 t -61.29 -45.39 98.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.34 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.1 -55.34 36.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.762 0.315 . . . . 0.0 111.657 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.91 -44.54 96.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.499 -179.395 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.426 ' HB2' ' O ' ' A' ' 21' ' ' TRP . 2.8 tp60 -63.37 -45.54 90.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.775 0.321 . . . . 0.0 111.212 -179.566 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.484 ' HB2' ' O ' ' A' ' 22' ' ' VAL . 2.4 tpt -66.13 -36.67 83.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.111 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 77.4 mtp -65.01 -52.55 55.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.18 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.6 mtmm -65.89 -52.86 46.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.556 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.409 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . -63.04 -66.89 2.31 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 121.016 -0.612 . . . . 0.0 113.689 -178.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . -60.53 -42.85 97.31 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -178.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.0 -63.72 4.81 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.891 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.662 ' O ' HG23 ' A' ' 36' ' ' VAL . 2.3 t90 -61.88 -60.09 4.16 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -179.381 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 29' ' ' GLY . . . -56.29 -51.77 66.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.627 -179.136 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.17 -45.51 95.88 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.434 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -60.7 -53.0 48.99 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.67 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 32' ' ' TRP . 19.4 t -65.32 -52.21 55.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 111.618 0.229 . . . . 0.0 111.618 -179.639 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -57.63 -58.1 9.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.559 -0.292 . . . . 0.0 111.42 -179.242 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -65.59 -35.91 82.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.759 0.314 . . . . 0.0 111.159 -179.745 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -62.79 -55.84 24.58 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.899 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.504 HG22 ' O ' ' A' ' 36' ' ' VAL . 14.6 t -66.92 -41.91 86.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.761 0.315 . . . . 0.0 111.344 -179.631 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.3 tp -57.78 -50.19 74.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.851 0.357 . . . . 0.0 111.161 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.588 ' O ' ' HB2' ' A' ' 46' ' ' PHE . 1.7 tp -72.98 -44.79 60.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.512 -179.589 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 85.4 mt -68.18 -62.23 1.49 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.734 0.302 . . . . 0.0 111.491 -179.481 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 33.4 mm -64.05 -39.1 84.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.267 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.2 -50.28 66.69 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.789 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.588 ' HB2' ' O ' ' A' ' 42' ' ' LEU . 0.3 OUTLIER -64.51 -46.2 83.97 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.661 0.267 . . . . 0.0 111.047 -179.744 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.99 -33.92 77.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.935 0.398 . . . . 0.0 110.581 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.826 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 22.6 ttp180 -67.64 -49.51 62.57 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.211 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.557 HG23 ' N ' ' A' ' 50' ' ' VAL . 35.4 m -72.31 -50.81 33.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 121.125 -0.23 . . . . 0.0 111.386 -179.612 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.676 HG12 HD12 ' A' ' 54' ' ' LEU . 41.9 t -67.02 -50.66 62.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.785 0.326 . . . . 0.0 110.747 179.687 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.1 -21.6 61.79 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.789 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.826 ' HB2' ' O ' ' A' ' 48' ' ' ARG . 0.5 OUTLIER -79.0 -20.16 49.77 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.617 0.228 . . . . 0.0 111.617 -179.762 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 20.6 mtm -152.17 36.63 0.54 Allowed 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.827 -179.171 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.676 HD12 HG12 ' A' ' 50' ' ' VAL . 5.1 tt -71.58 -52.2 8.66 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.638 -0.255 . . . . 0.0 110.697 179.241 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.568 ' HD3' ' HB3' ' A' ' 54' ' ' LEU . 71.8 Cg_endo -75.49 -30.25 6.68 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.608 2.206 . . . . 0.0 112.649 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.485 ' O ' ' HB2' ' A' ' 57' ' ' GLN . 3.0 mp -80.43 -39.34 18.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.518 -179.349 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.485 ' HB2' ' O ' ' A' ' 56' ' ' ILE . 70.4 mt-30 69.24 57.47 0.36 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.303 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 79.85 134.7 0.06 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.032 179.646 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.6 p30 -82.77 107.15 15.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.889 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -147.67 54.48 1.06 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.649 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.15 123.86 89.15 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.076 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_exo -51.52 92.36 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.415 2.077 . . . . 0.0 112.207 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.429 ' HA ' ' HD2' ' A' ' 64' ' ' PRO . . . -65.25 121.27 73.65 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.649 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 63' ' ' ALA . 8.0 Cg_endo -49.64 -63.01 0.33 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.779 2.319 . . . . 0.0 112.956 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -82.6 104.61 12.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.909 0.385 . . . . 0.0 111.648 -179.306 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.9 tp -170.64 -33.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.187 179.153 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -176.81 -167.85 0.2 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.51 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.22 66.42 0.23 Allowed Glycine 0 CA--C 1.518 0.237 0 C-N-CA 120.751 -0.737 . . . . 0.0 113.092 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.432 ' O ' ' CB ' ' A' ' 70' ' ' LEU . . . -63.85 -69.06 0.3 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.681 0.277 . . . . 0.0 111.119 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.432 ' CB ' ' O ' ' A' ' 69' ' ' ALA . 0.3 OUTLIER 83.17 -72.97 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.28 179.604 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.525 ' HG3' ' H ' ' A' ' 72' ' ' HIS . 3.9 pt-20 28.96 -94.87 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.203 -179.694 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.525 ' H ' ' HG3' ' A' ' 71' ' ' GLU . 17.0 p-80 -146.04 -27.69 0.43 Allowed 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 120.717 0.294 . . . . 0.0 110.846 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 1.2 t60 68.53 158.09 0.15 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.938 0.399 . . . . 0.0 110.951 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -71.5 -24.32 61.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.995 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 53.4 t60 67.36 -72.78 0.09 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.547 179.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 12.5 m170 62.96 98.32 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.973 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.205 -0.903 . . . . 0.0 111.014 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.567 0.222 . . . . 0.0 111.381 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.08 94.35 0.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.786 0.327 . . . . 0.0 110.976 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.434 ' O ' ' HG3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -59.33 117.64 5.04 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.622 179.677 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 56.23 35.9 26.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.56 -179.608 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.559 ' O ' HG13 ' A' ' 5' ' ' ILE . 10.6 tp 35.66 34.57 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 CA-C-N 115.778 -0.647 . . . . 0.0 112.109 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER 49.05 23.22 0.7 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.958 179.664 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.496 ' O ' ' HB2' ' A' ' 8' ' ' ASP . 0.7 OUTLIER -74.76 -43.72 53.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.735 0.303 . . . . 0.0 111.033 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.632 ' O ' ' HB2' ' A' ' 9' ' ' HIS . 1.0 OUTLIER 72.78 94.61 0.08 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.299 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.632 ' HB2' ' O ' ' A' ' 8' ' ' ASP . 1.6 m-70 83.62 -30.87 0.08 Allowed 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.632 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 60.61 105.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.456 ' ND2' ' H ' ' A' ' 12' ' ' THR . 4.5 p-10 -106.98 -95.77 0.37 Allowed 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 121.12 -0.232 . . . . 0.0 111.401 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.485 ' O ' HG23 ' A' ' 12' ' ' THR . 9.0 t -86.78 116.19 24.71 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.758 0.313 . . . . 0.0 111.309 -179.695 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.836 ' HB3' ' HD3' ' A' ' 14' ' ' PRO . 20.6 t-20 -166.87 -59.53 0.01 OUTLIER Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.053 178.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.836 ' HD3' ' HB3' ' A' ' 13' ' ' ASN . 50.2 Cg_exo -54.36 -17.6 12.59 Favored 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 122.21 1.94 . . . . 0.0 112.175 178.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.954 ' HB2' ' HB2' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -117.06 -50.54 2.58 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.85 -179.416 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.634 ' H ' ' HG2' ' A' ' 15' ' ' LYS . 55.3 m 27.49 -96.13 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 179.219 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.531 ' O ' ' HB2' ' A' ' 21' ' ' TRP . 4.3 m-20 -66.35 -38.42 87.57 Favored 'General case' 0 N--CA 1.462 0.134 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -179.023 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.591 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.1 tt -62.99 -54.83 32.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.792 0.329 . . . . 0.0 110.986 -179.626 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.954 ' HB2' ' HB2' ' A' ' 15' ' ' LYS . 15.4 tpt85 -59.87 -46.09 90.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.052 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.573 ' HG ' ' CD2' ' A' ' 24' ' ' PHE . 6.3 tp -63.58 -41.36 98.38 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.471 -179.452 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.531 ' HB2' ' O ' ' A' ' 17' ' ' ASN . 0.1 OUTLIER -62.54 -51.52 67.06 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.804 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 18' ' ' LEU . 40.9 t -60.72 -50.37 80.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.49 -179.626 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.58 -53.02 62.89 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -179.258 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.573 ' CD2' ' HG ' ' A' ' 20' ' ' LEU . 8.1 m-85 -63.53 -49.91 71.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.854 -179.133 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.439 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 26.8 tt0 -61.22 -44.53 97.13 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.575 -179.014 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.425 ' HB2' ' O ' ' A' ' 22' ' ' VAL . 4.6 tmm? -66.62 -54.21 25.78 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.744 0.306 . . . . 0.0 111.327 -179.737 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -67.44 -64.36 0.87 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -179.202 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.0 tttm -65.45 -42.71 92.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.289 -0.414 . . . . 0.0 112.046 -178.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.439 ' HA3' ' O ' ' A' ' 25' ' ' GLN . . . -61.22 -67.52 2.08 Favored Glycine 0 N--CA 1.454 -0.151 0 C-N-CA 120.48 -0.867 . . . . 0.0 112.535 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.73 -35.36 79.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.806 0.336 . . . . 0.0 111.044 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.99 -65.31 3.39 Favored Glycine 0 C--N 1.331 0.275 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.968 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 43.3 t90 -61.31 -54.28 45.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.756 0.312 . . . . 0.0 111.126 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.749 ' O ' ' HB2' ' A' ' 37' ' ' PHE . . . -55.85 -70.13 0.12 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.373 -179.38 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.743 ' O ' ' HB2' ' A' ' 38' ' ' PHE . . . -59.04 -39.07 93.85 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.385 -0.912 . . . . 0.0 112.404 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.42 -67.33 2.16 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.774 -0.727 . . . . 0.0 113.315 -179.46 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.5 t -63.23 -47.86 90.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 -178.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.749 ' HB2' ' O ' ' A' ' 33' ' ' ALA . 0.1 OUTLIER -58.95 -54.7 44.14 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 111.634 0.235 . . . . 0.0 111.634 -179.123 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.743 ' HB2' ' O ' ' A' ' 34' ' ' GLY . 9.3 m-85 -65.42 -39.23 91.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.68 0.276 . . . . 0.0 110.722 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.81 -61.28 7.38 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.401 -0.904 . . . . 0.0 112.123 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.507 ' O ' HG12 ' A' ' 44' ' ' ILE . 3.1 m -56.94 -52.89 63.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.68 0.276 . . . . 0.0 110.889 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.1 tp -52.44 -53.72 41.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.432 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.554 ' HB2' ' O ' ' A' ' 38' ' ' PHE . 1.1 tp -62.16 -34.71 76.92 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.835 0.35 . . . . 0.0 110.926 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.615 ' O ' ' HB2' ' A' ' 47' ' ' PHE . 2.5 mp -66.35 -50.73 62.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.59 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.507 HG12 ' O ' ' A' ' 40' ' ' THR . 43.0 mm -62.64 -37.04 77.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.871 0.367 . . . . 0.0 110.809 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.807 ' O ' HG22 ' A' ' 49' ' ' VAL . . . -64.92 -56.32 17.02 Favored Glycine 0 CA--C 1.519 0.316 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.609 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -65.85 -39.73 91.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.851 0.357 . . . . 0.0 111.219 -179.67 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.615 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 6.4 m-85 -69.72 -38.02 76.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.635 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.678 ' HG2' ' O ' ' A' ' 45' ' ' GLY . 4.6 ptm180 -68.0 -40.89 82.95 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 121.176 -0.21 . . . . 0.0 110.835 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.807 HG22 ' O ' ' A' ' 45' ' ' GLY . 1.8 m -71.43 -58.03 6.13 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.245 179.666 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.689 HG22 ' HA ' ' A' ' 55' ' ' PRO . 42.2 t -67.42 -35.82 74.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.244 0.545 . . . . 0.0 110.941 179.449 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.439 ' HA3' ' O ' ' A' ' 47' ' ' PHE . . . -67.95 -32.85 78.01 Favored Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.319 -0.855 . . . . 0.0 112.48 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -81.3 -59.92 2.46 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.71 0.29 . . . . 0.0 111.318 -179.307 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.751 ' O ' ' HD3' ' A' ' 55' ' ' PRO . 0.0 OUTLIER -162.12 -41.24 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.864 -0.335 . . . . 0.0 111.758 -179.572 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.558 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 51.9 mt -80.91 99.01 0.44 Allowed Pre-proline 0 C--N 1.329 -0.284 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -178.778 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.751 ' HD3' ' O ' ' A' ' 53' ' ' MET . 9.8 Cg_endo -88.96 -50.88 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 123.04 2.493 . . . . 0.0 112.292 179.549 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.664 ' O ' ' HB2' ' A' ' 57' ' ' GLN . 0.2 OUTLIER -154.32 54.16 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.163 179.023 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.664 ' HB2' ' O ' ' A' ' 56' ' ' ILE . 1.5 mm-40 82.6 -29.38 0.1 Allowed 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.56 -178.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -68.89 140.07 55.15 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.437 179.224 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.473 ' HB3' ' HB3' ' A' ' 62' ' ' PRO . 18.4 m120 -84.81 -46.98 10.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.829 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 61.63 90.67 0.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.292 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.579 ' HB1' ' HG3' ' A' ' 64' ' ' PRO . . . 57.47 58.25 7.48 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.758 179.426 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.473 ' HB3' ' HB3' ' A' ' 59' ' ' ASN . 60.2 Cg_endo -74.16 -25.73 13.43 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.466 2.111 . . . . 0.0 112.489 179.507 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.585 ' N ' ' HD2' ' A' ' 64' ' ' PRO . . . -67.71 -51.74 29.1 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 115.992 -0.549 . . . . 0.0 112.31 -179.359 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.585 ' HD2' ' N ' ' A' ' 63' ' ' ALA . 18.6 Cg_endo -58.53 82.33 0.05 OUTLIER 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.328 2.018 . . . . 0.0 112.503 -179.617 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -88.24 -55.42 3.75 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.591 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.583 ' O ' HG23 ' A' ' 66' ' ' ILE . 1.0 OUTLIER -166.97 89.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.433 179.717 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 29.0 p 36.83 -158.99 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.95 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.3 -157.75 18.3 Favored Glycine 0 C--N 1.333 0.38 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.57 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -176.02 -178.33 1.01 Allowed 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.826 0.346 . . . . 0.0 111.383 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.2 tt -173.35 57.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.964 0.412 . . . . 0.0 110.966 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -174.29 -51.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.944 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 12.3 m170 61.78 -175.47 0.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.973 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 34.0 m-70 -76.0 -36.36 59.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 60.39 31.15 20.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.948 0.404 . . . . 0.0 110.499 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.18 112.29 6.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.848 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 62.0 t-80 -158.25 142.32 15.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.769 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 6.3 m170 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.932 -179.968 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.659 ' O ' ' HD3' ' A' ' 19' ' ' ARG . 6.7 tttp . . . . . 0 N--CA 1.457 -0.116 0 CA-C-O 120.854 0.359 . . . . 0.0 110.753 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.7 m -70.72 -42.11 71.01 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -65.62 -40.92 93.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.858 0.361 . . . . 0.0 110.72 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.648 ' O ' HG23 ' A' ' 22' ' ' VAL . 7.5 tt -61.79 -46.67 88.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.82 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.659 ' HD3' ' O ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -63.56 -40.63 97.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.553 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.66 -46.31 86.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.032 0.444 . . . . 0.0 110.562 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 13.6 t-105 -61.42 -54.42 43.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.06 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 18' ' ' LEU . 27.9 t -61.73 -40.33 86.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.073 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.79 -49.08 78.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.046 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -64.55 -45.6 86.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -61.14 -46.37 90.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.939 -179.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.406 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 6.1 mmm -67.34 -48.02 68.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.327 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.7 mtp -63.73 -61.39 2.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.647 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.28 -43.22 95.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.873 0.368 . . . . 0.0 110.838 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.667 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . -63.82 -66.08 2.71 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.881 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . -62.45 -48.41 79.78 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -179.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.77 -69.94 1.13 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.59 -0.815 . . . . 0.0 113.087 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.464 ' O ' HG23 ' A' ' 36' ' ' VAL . 1.0 OUTLIER -57.05 -64.66 0.81 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -179.327 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.667 ' HB3' ' O ' ' A' ' 29' ' ' GLY . . . -55.99 -65.14 0.65 Allowed 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -178.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.519 ' O ' ' HB2' ' A' ' 38' ' ' PHE . . . -61.19 -41.89 99.62 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.552 -0.832 . . . . 0.0 112.995 -179.361 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -60.75 -60.39 8.54 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.531 -0.842 . . . . 0.0 113.027 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 32' ' ' TRP . 24.0 t -63.31 -52.13 62.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -179.284 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.81 ' O ' ' HB2' ' A' ' 41' ' ' LEU . 1.7 t80 -59.84 -64.99 0.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.475 -179.249 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.524 ' O ' ' HB2' ' A' ' 42' ' ' LEU . 0.1 OUTLIER -64.31 -45.31 88.49 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.523 0.201 . . . . 0.0 111.368 -179.42 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.84 -62.63 5.88 Favored Glycine 0 CA--C 1.52 0.37 0 C-N-CA 120.755 -0.736 . . . . 0.0 113.467 -179.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.553 HG22 HG12 ' A' ' 44' ' ' ILE . 2.4 m -59.99 -57.43 12.88 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 -179.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.81 ' HB2' ' O ' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -48.33 -44.41 34.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.59 -179.446 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.524 ' HB2' ' O ' ' A' ' 38' ' ' PHE . 6.5 mp -68.79 -46.91 67.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.706 0.289 . . . . 0.0 111.356 -179.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.531 ' O ' ' HB2' ' A' ' 47' ' ' PHE . 0.4 OUTLIER -65.87 -68.02 0.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.136 -179.398 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.808 ' O ' ' HB2' ' A' ' 48' ' ' ARG . 1.4 pt -64.54 -35.07 73.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -179.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.473 ' N ' HG13 ' A' ' 44' ' ' ILE . . . -63.5 -57.69 13.96 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.333 -0.937 . . . . 0.0 112.901 -179.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.633 ' CE1' HG21 ' A' ' 50' ' ' VAL . 27.4 t80 -65.72 -41.94 91.68 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -179.286 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.531 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -66.82 -43.15 84.53 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 121.053 -0.259 . . . . 0.0 111.264 -179.635 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.808 ' HB2' ' O ' ' A' ' 44' ' ' ILE . 2.1 mtp85 -67.42 -38.7 85.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.588 0.232 . . . . 0.0 111.556 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.533 HG13 ' N ' ' A' ' 50' ' ' VAL . 10.2 p -71.63 -51.1 34.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 120.84 -0.344 . . . . 0.0 111.658 -179.128 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.633 HG21 ' CE1' ' A' ' 46' ' ' PHE . 21.8 t -71.09 -42.21 76.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.93 0.395 . . . . 0.0 111.658 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -65.97 -57.51 10.68 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 121.114 -0.565 . . . . 0.0 113.013 -179.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.534 ' HB2' ' O ' ' A' ' 48' ' ' ARG . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.397 0 CA-C-O 120.562 0.22 . . . . 0.0 111.432 -179.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.3 tttt . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 120.744 0.307 . . . . 0.0 111.379 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.414 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 0.7 OUTLIER -71.08 -43.17 68.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.156 -179.569 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -64.41 -50.24 68.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.815 0.341 . . . . 0.0 110.96 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.497 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.8 tt -59.45 -49.56 77.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.292 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 19' ' ' ARG . 0.3 OUTLIER -61.91 -50.07 73.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.073 -179.57 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.534 ' O ' ' HB2' ' A' ' 24' ' ' PHE . 2.6 tp -59.93 -39.59 86.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.811 0.339 . . . . 0.0 110.793 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.497 ' O ' ' HB2' ' A' ' 25' ' ' GLN . 0.7 OUTLIER -60.59 -59.35 5.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.072 -179.897 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 18' ' ' LEU . 21.0 t -60.04 -46.36 94.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.686 -179.537 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.1 -55.04 38.84 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -179.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.534 ' HB2' ' O ' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -62.42 -40.63 97.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.653 0.263 . . . . 0.0 111.376 -179.424 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.497 ' HB2' ' O ' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -63.19 -54.56 35.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.477 -179.512 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.5 ttt -67.49 -51.47 50.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.743 -179.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.64 -65.14 0.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -179.007 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.421 ' HD2' ' CD2' ' A' ' 24' ' ' PHE . 0.6 OUTLIER -64.29 -38.21 90.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.444 -179.169 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.456 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . -61.6 -66.56 2.57 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.418 -0.896 . . . . 0.0 112.379 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.446 ' O ' ' HA3' ' A' ' 34' ' ' GLY . . . -58.63 -39.01 79.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.933 0.397 . . . . 0.0 110.757 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.88 -77.76 0.23 Allowed Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.764 -0.731 . . . . 0.0 113.065 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 14.5 t90 -57.03 -67.15 0.34 Allowed 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -178.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 29' ' ' GLY . . . -54.37 -37.13 64.63 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.664 0.268 . . . . 0.0 111.035 -178.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.446 ' HA3' ' O ' ' A' ' 30' ' ' ALA . . . -61.56 -51.14 59.67 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.091 -1.052 . . . . 0.0 111.863 179.203 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.14 -59.19 9.36 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.983 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.4 t -60.65 -53.72 45.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -179.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.63 ' O ' ' HB2' ' A' ' 41' ' ' LEU . 20.6 t80 -59.14 -67.01 0.41 Allowed 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.64 0.237 . . . . 0.0 111.64 -178.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.685 ' O ' ' HB2' ' A' ' 42' ' ' LEU . 93.9 m-85 -63.3 -44.55 94.69 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.922 -0.311 . . . . 0.0 111.191 -179.455 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.542 ' O ' HD23 ' A' ' 43' ' ' LEU . . . -59.5 -59.71 10.11 Favored Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.38 -0.914 . . . . 0.0 112.933 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 28.7 m -60.17 -49.77 76.3 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.63 ' HB2' ' O ' ' A' ' 37' ' ' PHE . 2.5 tp -60.08 -44.6 94.67 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.674 0.25 . . . . 0.0 111.674 -179.31 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.685 ' HB2' ' O ' ' A' ' 38' ' ' PHE . 0.7 OUTLIER -64.94 -39.49 93.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.644 0.259 . . . . 0.0 111.053 -179.686 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.542 HD23 ' O ' ' A' ' 39' ' ' GLY . 3.7 mm? -68.47 -52.77 28.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.201 -179.579 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.591 ' O ' ' HB2' ' A' ' 48' ' ' ARG . 1.9 pp -64.66 -44.04 96.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.315 -179.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.71 -51.31 58.29 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.915 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.512 ' O ' ' HB ' ' A' ' 50' ' ' VAL . 3.4 m-85 -63.35 -52.39 61.97 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.723 0.296 . . . . 0.0 111.632 -179.374 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -64.02 -51.23 65.18 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -178.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.591 ' HB2' ' O ' ' A' ' 44' ' ' ILE . 11.1 mtt180 -69.06 -52.39 29.0 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -179.341 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 15.3 t -73.43 -64.59 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -178.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.512 ' HB ' ' O ' ' A' ' 46' ' ' PHE . 19.0 t -65.72 -43.9 93.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.61 0.243 . . . . 0.0 111.572 -179.293 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.56 -40.13 98.74 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.479 -0.867 . . . . 0.0 112.85 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.43 ' HB2' ' O ' ' A' ' 48' ' ' ARG . 6.0 ttp-105 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 122.626 -0.338 . . . . 0.0 111.441 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.838 ' HB2' ' HB2' ' A' ' 19' ' ' ARG . 55.3 mmtt . . . . . 0 CA--C 1.534 0.335 0 CA-C-O 120.511 0.196 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 82.0 p 36.91 -95.72 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.492 ' O ' ' HB2' ' A' ' 21' ' ' TRP . 30.3 m120 -62.93 -42.68 99.88 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 120.732 0.301 . . . . 0.0 110.617 -179.492 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.452 ' O ' HG23 ' A' ' 22' ' ' VAL . 95.9 mt -66.58 -35.35 79.99 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.132 179.311 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.838 ' HB2' ' HB2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -61.77 -64.47 0.93 Allowed 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.272 0.558 . . . . 0.0 110.716 179.542 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.408 ' O ' ' HB2' ' A' ' 24' ' ' PHE . 3.5 pp -59.68 -31.75 69.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.171 -179.24 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.492 ' HB2' ' O ' ' A' ' 17' ' ' ASN . 13.3 t90 -61.59 -61.9 2.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.702 0.287 . . . . 0.0 110.986 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 18' ' ' LEU . 21.4 t -63.08 -46.43 96.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.52 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.519 ' O ' ' HB2' ' A' ' 27' ' ' MET . . . -56.92 -56.06 26.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.86 0.362 . . . . 0.0 111.221 -179.648 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.698 ' O ' ' HB3' ' A' ' 28' ' ' LYS . 6.4 m-85 -61.3 -35.9 78.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.93 0.395 . . . . 0.0 110.941 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -60.53 -63.87 1.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.064 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 21.2 mmt -69.1 -53.91 17.79 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.519 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -65.88 -64.87 0.76 Allowed 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -178.526 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.698 ' HB3' ' O ' ' A' ' 24' ' ' PHE . 7.8 tttp -63.67 -38.1 89.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.823 -0.171 . . . . 0.0 111.121 -178.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.8 -66.54 2.57 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.497 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.18 -42.83 99.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.86 0.362 . . . . 0.0 110.566 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.463 ' O ' ' HA3' ' A' ' 35' ' ' GLY . . . -59.73 -37.76 92.87 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.573 -0.822 . . . . 0.0 111.903 179.482 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.625 ' HB3' ' O ' ' A' ' 28' ' ' LYS . 0.4 OUTLIER -62.67 -66.16 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.788 0.328 . . . . 0.0 110.501 179.629 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.482 ' N ' ' CG ' ' A' ' 32' ' ' TRP . . . -58.9 -61.45 2.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.0 0.429 . . . . 0.0 110.98 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.448 ' O ' ' HB2' ' A' ' 38' ' ' PHE . . . -59.07 -44.16 96.5 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.685 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.463 ' HA3' ' O ' ' A' ' 31' ' ' GLY . . . -59.36 -52.85 50.74 Favored Glycine 0 CA--C 1.517 0.215 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.997 -179.562 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.509 ' O ' HG23 ' A' ' 40' ' ' THR . 51.0 t -66.76 -47.54 82.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.654 0.264 . . . . 0.0 111.297 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.614 ' O ' ' HB2' ' A' ' 41' ' ' LEU . 15.0 m-85 -60.11 -62.23 2.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.96 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.531 ' O ' HD23 ' A' ' 42' ' ' LEU . 6.4 m-85 -64.23 -38.7 91.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.754 0.311 . . . . 0.0 111.123 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.5 -63.82 4.78 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.35 -0.929 . . . . 0.0 112.965 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.509 HG23 ' O ' ' A' ' 36' ' ' VAL . 22.4 p -60.54 -45.4 94.02 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.798 0.295 . . . . 0.0 111.798 -179.476 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.614 ' HB2' ' O ' ' A' ' 37' ' ' PHE . 3.8 tp -60.56 -46.21 91.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.645 -179.289 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.531 HD23 ' O ' ' A' ' 38' ' ' PHE . 4.1 mm? -66.07 -42.81 88.91 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -179.445 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.98 -55.54 12.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.674 0.273 . . . . 0.0 111.233 -179.317 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.411 HG12 ' O ' ' A' ' 40' ' ' THR . 28.3 mm -65.6 -47.97 84.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.271 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -60.44 -53.19 47.58 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.944 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -62.35 -48.76 78.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.877 0.37 . . . . 0.0 110.964 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -64.88 -32.12 73.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.125 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 48' ' ' ARG . 7.3 mtm180 -66.86 -52.33 44.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.512 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.2 t -72.98 -53.34 18.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.724 -179.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 26.4 t -64.96 -41.75 92.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.031 0.443 . . . . 0.0 110.269 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -73.43 -71.98 1.04 Allowed Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 115.733 -0.667 . . . . 0.0 113.868 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.0 mpt_? . . . . . 0 C--N 1.331 -0.23 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -178.304 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.164 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.542 ' O ' HD12 ' A' ' 20' ' ' LEU . 4.7 t -73.48 -30.09 62.93 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.693 0.282 . . . . 0.0 111.468 -179.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -62.71 -57.24 11.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.793 0.33 . . . . 0.0 110.933 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.56 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -62.77 -39.76 95.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 40.6 ttt180 -61.83 -50.9 70.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.896 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.542 HD12 ' O ' ' A' ' 16' ' ' THR . 0.2 OUTLIER -62.03 -39.8 93.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.048 179.877 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.59 -54.45 42.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.1 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 18' ' ' LEU . 43.3 t -62.51 -43.6 98.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.114 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.18 -50.84 72.1 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.757 0.313 . . . . 0.0 111.087 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.404 ' O ' ' HB2' ' A' ' 28' ' ' LYS . 0.6 OUTLIER -62.57 -42.81 99.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.11 -179.849 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -63.16 -46.08 88.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.249 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -43.43 79.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.247 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.462 ' O ' ' HA3' ' A' ' 31' ' ' GLY . 15.6 mtt -64.73 -56.17 15.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.017 -179.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 24' ' ' PHE . 2.6 mttt -65.87 -50.93 62.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.818 0.342 . . . . 0.0 110.636 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.763 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . -57.98 -74.1 0.38 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.644 -179.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.435 ' O ' ' HA3' ' A' ' 34' ' ' GLY . . . -59.04 -29.11 67.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.795 0.298 . . . . 0.0 111.085 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.462 ' HA3' ' O ' ' A' ' 27' ' ' MET . . . -62.77 -77.65 0.2 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.971 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.477 ' CG ' ' N ' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -74.42 -51.06 16.04 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 111.594 0.22 . . . . 0.0 111.594 -179.128 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.763 ' HB3' ' O ' ' A' ' 29' ' ' GLY . . . -57.79 -40.67 80.4 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 179.533 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.526 ' O ' ' HB2' ' A' ' 38' ' ' PHE . . . -65.18 -41.85 96.72 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.411 -0.9 . . . . 0.0 111.703 178.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -60.33 -46.4 94.36 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.298 -0.953 . . . . 0.0 112.036 179.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 32' ' ' TRP . 37.9 t -68.19 -52.88 33.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.891 0.377 . . . . 0.0 111.254 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.558 ' O ' ' HB2' ' A' ' 41' ' ' LEU . 7.1 t80 -60.24 -59.4 5.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.079 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.719 ' O ' ' HB2' ' A' ' 42' ' ' LEU . 0.1 OUTLIER -63.74 -47.19 82.04 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.626 -179.811 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -61.75 -66.44 2.64 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.926 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 17.3 m -50.5 -56.16 12.82 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.689 0.281 . . . . 0.0 111.655 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.819 HD12 HD11 ' A' ' 44' ' ' ILE . 6.2 tp -55.44 -39.28 70.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.532 -179.351 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.719 ' HB2' ' O ' ' A' ' 38' ' ' PHE . 0.2 OUTLIER -65.88 -42.01 90.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.639 0.256 . . . . 0.0 110.642 179.755 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.24 -51.92 52.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.108 -179.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.819 HD11 HD12 ' A' ' 41' ' ' LEU . 0.8 OUTLIER -63.04 -44.61 99.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.612 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.95 -42.33 99.7 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.482 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.587 ' HB2' ' O ' ' A' ' 42' ' ' LEU . 0.1 OUTLIER -63.31 -49.26 74.68 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.962 0.41 . . . . 0.0 110.465 179.86 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -67.33 -29.82 69.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.728 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.576 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -66.76 -49.89 64.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.571 179.554 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.533 HG13 ' N ' ' A' ' 50' ' ' VAL . 9.2 p -72.25 -50.47 35.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.46 -179.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.533 ' N ' HG13 ' A' ' 49' ' ' VAL . 41.5 t -67.23 -46.12 84.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.91 0.386 . . . . 0.0 110.751 179.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.07 -30.94 77.03 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.394 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.576 ' HB2' ' O ' ' A' ' 48' ' ' ARG . 9.9 mtp180 . . . . . 0 C--N 1.33 -0.244 0 CA-C-O 120.88 0.372 . . . . 0.0 110.643 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.616 ' O ' ' HB2' ' A' ' 19' ' ' ARG . 2.8 mptt . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.452 0.168 . . . . 0.0 111.353 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.0 m -72.87 -48.38 37.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.746 0.308 . . . . 0.0 111.293 -179.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -64.39 -48.61 74.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.949 0.404 . . . . 0.0 110.921 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.636 ' O ' HG22 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -59.68 -43.23 94.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.219 -179.846 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.616 ' HB2' ' O ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -63.85 -51.73 63.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.559 -179.444 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 75.8 mt -61.81 -41.93 98.38 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.817 0.341 . . . . 0.0 110.765 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 4.0 t-105 -63.06 -51.4 66.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.421 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.636 HG22 ' O ' ' A' ' 18' ' ' LEU . 24.1 m -60.78 -48.3 89.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.523 -179.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.506 ' N ' HG23 ' A' ' 22' ' ' VAL . . . -59.37 -42.21 91.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.142 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.69 -43.08 94.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.917 0.389 . . . . 0.0 110.633 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -64.8 -40.28 94.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.917 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.707 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -65.65 -46.87 77.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.228 -179.828 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -53.04 36.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.377 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.474 ' O ' ' HD1' ' A' ' 32' ' ' TRP . 17.7 tttt -66.6 -57.18 7.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.214 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.531 ' HA2' ' CD1' ' A' ' 32' ' ' TRP . . . -59.84 -64.3 4.32 Favored Glycine 0 C--N 1.332 0.328 0 CA-C-N 115.978 -0.556 . . . . 0.0 113.364 -179.54 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.707 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . -62.0 -38.14 87.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.816 0.341 . . . . 0.0 111.563 -179.392 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.63 -54.85 32.39 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.64 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.531 ' CD1' ' HA2' ' A' ' 29' ' ' GLY . 3.3 p-90 -62.22 -50.58 71.2 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 122.846 -0.208 . . . . 0.0 111.444 -179.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.466 ' N ' ' CG ' ' A' ' 32' ' ' TRP . . . -55.48 -50.93 68.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.838 0.351 . . . . 0.0 110.805 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.51 ' O ' ' HB2' ' A' ' 38' ' ' PHE . . . -63.08 -37.67 95.32 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.502 -0.856 . . . . 0.0 111.813 179.34 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.66 -52.32 49.54 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.388 -0.911 . . . . 0.0 112.38 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 32' ' ' TRP . 25.8 t -66.03 -48.72 80.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.698 0.285 . . . . 0.0 111.61 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.456 ' O ' ' HB2' ' A' ' 41' ' ' LEU . 5.7 m-85 -61.21 -48.44 81.52 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.003 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.51 ' HB2' ' O ' ' A' ' 34' ' ' GLY . 5.6 t80 -65.02 -47.93 75.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.834 0.349 . . . . 0.0 111.23 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -62.21 -55.42 27.91 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.765 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.46 ' O ' HG12 ' A' ' 44' ' ' ILE . 30.1 m -55.18 -41.5 72.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.676 0.274 . . . . 0.0 111.01 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.456 ' HB2' ' O ' ' A' ' 37' ' ' PHE . 0.7 OUTLIER -63.49 -35.73 81.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.847 0.356 . . . . 0.0 110.827 179.881 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.438 ' O ' ' HB2' ' A' ' 46' ' ' PHE . 1.6 tp -69.95 -45.32 67.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.132 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.85 -56.03 9.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.923 0.392 . . . . 0.0 111.146 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.515 ' O ' ' HG3' ' A' ' 48' ' ' ARG . 32.2 mm -63.53 -44.73 98.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.536 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.562 ' O ' HG12 ' A' ' 49' ' ' VAL . . . -61.82 -43.57 99.04 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.493 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.794 ' CE1' HG21 ' A' ' 50' ' ' VAL . 39.7 t80 -63.62 -50.15 70.5 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.778 0.323 . . . . 0.0 111.047 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.476 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 0.1 OUTLIER -64.2 -27.94 69.41 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.04 0.447 . . . . 0.0 110.623 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.515 ' HG3' ' O ' ' A' ' 44' ' ' ILE . 0.0 OUTLIER -69.99 -59.62 2.8 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.798 179.639 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.67 HG13 HG23 ' A' ' 50' ' ' VAL . 9.2 p -75.38 -54.21 14.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.264 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.794 HG21 ' CE1' ' A' ' 46' ' ' PHE . 23.4 t -73.71 -47.53 43.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -179.633 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.476 ' HA3' ' O ' ' A' ' 47' ' ' PHE . . . -59.78 -6.52 5.13 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.29 -0.957 . . . . 0.0 112.497 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 . . . . . 0 C--N 1.332 -0.165 0 CA-C-O 121.283 0.563 . . . . 0.0 110.471 -179.921 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.2 mttp . . . . . 0 CA--C 1.529 0.155 0 CA-C-O 120.688 0.28 . . . . 0.0 111.266 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 68.7 p -72.4 -42.11 65.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.054 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.57 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 9.1 t-20 -64.54 -43.11 95.03 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.06 0.457 . . . . 0.0 110.737 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.514 ' O ' HG23 ' A' ' 22' ' ' VAL . 33.8 mt -67.69 -36.13 80.1 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.303 179.573 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -62.71 -52.56 62.78 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.131 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 17' ' ' ASN . 3.7 pp -61.2 -38.27 85.96 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.679 0.276 . . . . 0.0 110.677 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.426 ' O ' ' HB2' ' A' ' 25' ' ' GLN . 43.3 t-105 -60.75 -55.29 34.88 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.917 179.602 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 18' ' ' LEU . 46.6 t -61.29 -45.39 98.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.34 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.1 -55.34 36.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.762 0.315 . . . . 0.0 111.657 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.91 -44.54 96.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.499 -179.395 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.426 ' HB2' ' O ' ' A' ' 21' ' ' TRP . 2.8 tp60 -63.37 -45.54 90.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.775 0.321 . . . . 0.0 111.212 -179.566 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.484 ' HB2' ' O ' ' A' ' 22' ' ' VAL . 2.4 tpt -66.13 -36.67 83.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.111 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 77.4 mtp -65.01 -52.55 55.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.18 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.6 mtmm -65.89 -52.86 46.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.556 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.409 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . -63.04 -66.89 2.31 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 121.016 -0.612 . . . . 0.0 113.689 -178.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . -60.53 -42.85 97.31 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -178.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.0 -63.72 4.81 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.891 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.662 ' O ' HG23 ' A' ' 36' ' ' VAL . 2.3 t90 -61.88 -60.09 4.16 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -179.381 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 29' ' ' GLY . . . -56.29 -51.77 66.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.627 -179.136 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.17 -45.51 95.88 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.434 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -60.7 -53.0 48.99 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.67 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 32' ' ' TRP . 19.4 t -65.32 -52.21 55.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 111.618 0.229 . . . . 0.0 111.618 -179.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -57.63 -58.1 9.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.559 -0.292 . . . . 0.0 111.42 -179.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -65.59 -35.91 82.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.759 0.314 . . . . 0.0 111.159 -179.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -62.79 -55.84 24.58 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.899 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.504 HG22 ' O ' ' A' ' 36' ' ' VAL . 14.6 t -66.92 -41.91 86.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.761 0.315 . . . . 0.0 111.344 -179.631 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.3 tp -57.78 -50.19 74.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.851 0.357 . . . . 0.0 111.161 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.588 ' O ' ' HB2' ' A' ' 46' ' ' PHE . 1.7 tp -72.98 -44.79 60.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.512 -179.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 85.4 mt -68.18 -62.23 1.49 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.734 0.302 . . . . 0.0 111.491 -179.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 33.4 mm -64.05 -39.1 84.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.267 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.2 -50.28 66.69 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.789 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.588 ' HB2' ' O ' ' A' ' 42' ' ' LEU . 0.3 OUTLIER -64.51 -46.2 83.97 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.661 0.267 . . . . 0.0 111.047 -179.744 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.99 -33.92 77.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.935 0.398 . . . . 0.0 110.581 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.826 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 22.6 ttp180 -67.64 -49.51 62.57 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.211 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.557 HG23 ' N ' ' A' ' 50' ' ' VAL . 35.4 m -72.31 -50.81 33.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 121.125 -0.23 . . . . 0.0 111.386 -179.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.557 ' N ' HG23 ' A' ' 49' ' ' VAL . 41.9 t -67.02 -50.66 62.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.785 0.326 . . . . 0.0 110.747 179.687 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.1 -21.6 61.79 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.789 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.826 ' HB2' ' O ' ' A' ' 48' ' ' ARG . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 N-CA-C 111.617 0.228 . . . . 0.0 111.617 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.954 ' HB2' ' HB2' ' A' ' 19' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.445 -0.682 0 CA-C-O 120.331 0.11 . . . . 0.0 110.85 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.634 ' H ' ' HG2' ' A' ' 15' ' ' LYS . 55.3 m 27.49 -96.13 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 179.219 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.531 ' O ' ' HB2' ' A' ' 21' ' ' TRP . 4.3 m-20 -66.35 -38.42 87.57 Favored 'General case' 0 N--CA 1.462 0.134 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -179.023 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.591 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.1 tt -62.99 -54.83 32.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.792 0.329 . . . . 0.0 110.986 -179.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.954 ' HB2' ' HB2' ' A' ' 15' ' ' LYS . 15.4 tpt85 -59.87 -46.09 90.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.052 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.573 ' HG ' ' CD2' ' A' ' 24' ' ' PHE . 6.3 tp -63.58 -41.36 98.38 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.471 -179.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.531 ' HB2' ' O ' ' A' ' 17' ' ' ASN . 0.1 OUTLIER -62.54 -51.52 67.06 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.804 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 18' ' ' LEU . 40.9 t -60.72 -50.37 80.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.49 -179.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.58 -53.02 62.89 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -179.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.573 ' CD2' ' HG ' ' A' ' 20' ' ' LEU . 8.1 m-85 -63.53 -49.91 71.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.854 -179.133 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.439 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 26.8 tt0 -61.22 -44.53 97.13 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.575 -179.014 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.425 ' HB2' ' O ' ' A' ' 22' ' ' VAL . 4.6 tmm? -66.62 -54.21 25.78 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.744 0.306 . . . . 0.0 111.327 -179.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -67.44 -64.36 0.87 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -179.202 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.0 tttm -65.45 -42.71 92.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.289 -0.414 . . . . 0.0 112.046 -178.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.439 ' HA3' ' O ' ' A' ' 25' ' ' GLN . . . -61.22 -67.52 2.08 Favored Glycine 0 N--CA 1.454 -0.151 0 C-N-CA 120.48 -0.867 . . . . 0.0 112.535 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.73 -35.36 79.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.806 0.336 . . . . 0.0 111.044 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.99 -65.31 3.39 Favored Glycine 0 C--N 1.331 0.275 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.968 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 43.3 t90 -61.31 -54.28 45.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.756 0.312 . . . . 0.0 111.126 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.749 ' O ' ' HB2' ' A' ' 37' ' ' PHE . . . -55.85 -70.13 0.12 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.373 -179.38 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.743 ' O ' ' HB2' ' A' ' 38' ' ' PHE . . . -59.04 -39.07 93.85 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.385 -0.912 . . . . 0.0 112.404 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.42 -67.33 2.16 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.774 -0.727 . . . . 0.0 113.315 -179.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.5 t -63.23 -47.86 90.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 -178.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.749 ' HB2' ' O ' ' A' ' 33' ' ' ALA . 0.1 OUTLIER -58.95 -54.7 44.14 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 111.634 0.235 . . . . 0.0 111.634 -179.123 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.743 ' HB2' ' O ' ' A' ' 34' ' ' GLY . 9.3 m-85 -65.42 -39.23 91.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.68 0.276 . . . . 0.0 110.722 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.81 -61.28 7.38 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.401 -0.904 . . . . 0.0 112.123 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.507 ' O ' HG12 ' A' ' 44' ' ' ILE . 3.1 m -56.94 -52.89 63.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.68 0.276 . . . . 0.0 110.889 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.1 tp -52.44 -53.72 41.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.432 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.554 ' HB2' ' O ' ' A' ' 38' ' ' PHE . 1.1 tp -62.16 -34.71 76.92 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.835 0.35 . . . . 0.0 110.926 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.615 ' O ' ' HB2' ' A' ' 47' ' ' PHE . 2.5 mp -66.35 -50.73 62.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.59 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.507 HG12 ' O ' ' A' ' 40' ' ' THR . 43.0 mm -62.64 -37.04 77.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.871 0.367 . . . . 0.0 110.809 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.807 ' O ' HG22 ' A' ' 49' ' ' VAL . . . -64.92 -56.32 17.02 Favored Glycine 0 CA--C 1.519 0.316 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.609 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -65.85 -39.73 91.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.851 0.357 . . . . 0.0 111.219 -179.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.615 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 6.4 m-85 -69.72 -38.02 76.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.635 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.678 ' HG2' ' O ' ' A' ' 45' ' ' GLY . 4.6 ptm180 -68.0 -40.89 82.95 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 121.176 -0.21 . . . . 0.0 110.835 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.807 HG22 ' O ' ' A' ' 45' ' ' GLY . 1.8 m -71.43 -58.03 6.13 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.245 179.666 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.502 ' H ' HG23 ' A' ' 49' ' ' VAL . 42.2 t -67.42 -35.82 74.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.244 0.545 . . . . 0.0 110.941 179.449 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.439 ' HA3' ' O ' ' A' ' 47' ' ' PHE . . . -67.95 -32.85 78.01 Favored Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.319 -0.855 . . . . 0.0 112.48 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.444 0 CA-C-O 120.71 0.29 . . . . 0.0 111.318 -179.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 120.8 0.333 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -161.33 -72.05 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.056 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.7 tttp -92.0 -37.8 12.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.095 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.3 m -69.66 115.56 9.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.855 -179.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.455 HG22 ' O ' ' A' ' 5' ' ' ILE . 30.2 mm 46.73 55.39 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.564 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -156.75 -75.06 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.162 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 72.64 -76.36 0.07 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.116 -179.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.583 ' O ' ' HB2' ' A' ' 9' ' ' HIS . 0.6 OUTLIER 60.66 145.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.415 179.329 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.583 ' HB2' ' O ' ' A' ' 8' ' ' ASP . 11.0 m80 75.72 155.06 0.16 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.745 -0.662 . . . . 0.0 111.679 179.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 mp -73.25 -31.08 63.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.396 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.401 ' O ' ' N ' ' A' ' 13' ' ' ASN . 1.0 OUTLIER 60.08 32.76 21.12 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.598 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 68.09 -66.45 0.22 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.618 -179.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.425 ' HB3' ' OG1' ' A' ' 16' ' ' THR . 1.1 t-20 54.62 93.52 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.428 179.477 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -54.32 -42.72 65.11 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.469 2.113 . . . . 0.0 112.049 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.659 ' O ' ' HD3' ' A' ' 19' ' ' ARG . 6.7 tttp -56.14 -40.58 74.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.753 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.425 ' OG1' ' HB3' ' A' ' 13' ' ' ASN . 2.7 m -70.72 -42.11 71.01 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.895 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -65.62 -40.92 93.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.858 0.361 . . . . 0.0 110.72 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.648 ' O ' HG23 ' A' ' 22' ' ' VAL . 7.5 tt -61.79 -46.67 88.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.82 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.659 ' HD3' ' O ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -63.56 -40.63 97.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.553 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.66 -46.31 86.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.032 0.444 . . . . 0.0 110.562 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 13.6 t-105 -61.42 -54.42 43.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.06 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 18' ' ' LEU . 27.9 t -61.73 -40.33 86.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.073 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.79 -49.08 78.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.046 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -64.55 -45.6 86.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -61.14 -46.37 90.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.939 -179.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.406 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 6.1 mmm -67.34 -48.02 68.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.327 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.7 mtp -63.73 -61.39 2.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.647 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.28 -43.22 95.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.873 0.368 . . . . 0.0 110.838 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.667 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . -63.82 -66.08 2.71 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.881 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . -62.45 -48.41 79.78 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -179.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.77 -69.94 1.13 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.59 -0.815 . . . . 0.0 113.087 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.464 ' O ' HG23 ' A' ' 36' ' ' VAL . 1.0 OUTLIER -57.05 -64.66 0.81 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -179.327 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.667 ' HB3' ' O ' ' A' ' 29' ' ' GLY . . . -55.99 -65.14 0.65 Allowed 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -178.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.519 ' O ' ' HB2' ' A' ' 38' ' ' PHE . . . -61.19 -41.89 99.62 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.552 -0.832 . . . . 0.0 112.995 -179.361 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -60.75 -60.39 8.54 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.531 -0.842 . . . . 0.0 113.027 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 32' ' ' TRP . 24.0 t -63.31 -52.13 62.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -179.284 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.81 ' O ' ' HB2' ' A' ' 41' ' ' LEU . 1.7 t80 -59.84 -64.99 0.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.475 -179.249 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.524 ' O ' ' HB2' ' A' ' 42' ' ' LEU . 0.1 OUTLIER -64.31 -45.31 88.49 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.523 0.201 . . . . 0.0 111.368 -179.42 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.84 -62.63 5.88 Favored Glycine 0 CA--C 1.52 0.37 0 C-N-CA 120.755 -0.736 . . . . 0.0 113.467 -179.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.553 HG22 HG12 ' A' ' 44' ' ' ILE . 2.4 m -59.99 -57.43 12.88 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 -179.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.81 ' HB2' ' O ' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -48.33 -44.41 34.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.59 -179.446 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.524 ' HB2' ' O ' ' A' ' 38' ' ' PHE . 6.5 mp -68.79 -46.91 67.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.706 0.289 . . . . 0.0 111.356 -179.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.531 ' O ' ' HB2' ' A' ' 47' ' ' PHE . 0.4 OUTLIER -65.87 -68.02 0.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.136 -179.398 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.808 ' O ' ' HB2' ' A' ' 48' ' ' ARG . 1.4 pt -64.54 -35.07 73.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -179.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.473 ' N ' HG13 ' A' ' 44' ' ' ILE . . . -63.5 -57.69 13.96 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.333 -0.937 . . . . 0.0 112.901 -179.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.633 ' CE1' HG21 ' A' ' 50' ' ' VAL . 27.4 t80 -65.72 -41.94 91.68 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -179.286 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.531 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -66.82 -43.15 84.53 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 121.053 -0.259 . . . . 0.0 111.264 -179.635 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.808 ' HB2' ' O ' ' A' ' 44' ' ' ILE . 2.1 mtp85 -67.42 -38.7 85.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.588 0.232 . . . . 0.0 111.556 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.667 HG23 ' CD ' ' A' ' 55' ' ' PRO . 10.2 p -71.63 -51.1 34.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 120.84 -0.344 . . . . 0.0 111.658 -179.128 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.633 HG21 ' CE1' ' A' ' 46' ' ' PHE . 21.8 t -71.09 -42.21 76.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.93 0.395 . . . . 0.0 111.658 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -65.97 -57.51 10.68 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 121.114 -0.565 . . . . 0.0 113.013 -179.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.534 ' HB2' ' O ' ' A' ' 48' ' ' ARG . 0.5 OUTLIER -79.81 -20.47 46.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.562 0.22 . . . . 0.0 111.432 -179.457 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 64.6 34.92 9.5 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.315 0.579 . . . . 0.0 109.621 -179.01 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.505 ' N ' ' HD2' ' A' ' 55' ' ' PRO . 14.2 tp -42.71 -56.36 6.05 Favored Pre-proline 0 CA--C 1.532 0.262 0 CA-C-N 115.287 -0.869 . . . . 0.0 112.547 -179.361 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.667 ' CD ' HG23 ' A' ' 49' ' ' VAL . 9.2 Cg_endo -53.36 94.59 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.387 2.058 . . . . 0.0 113.004 -179.243 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.52 HG22 ' N ' ' A' ' 57' ' ' GLN . 21.9 mt 64.12 160.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.055 178.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.631 ' O ' ' HB2' ' A' ' 58' ' ' GLU . 74.7 mt-30 71.14 -79.22 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.992 179.285 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.631 ' HB2' ' O ' ' A' ' 57' ' ' GLN . 69.6 mt-10 79.71 -79.61 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.72 -179.356 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -154.42 -43.2 0.09 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.389 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.499 ' HB3' ' H ' ' A' ' 61' ' ' ALA . 14.7 mt-30 -147.6 -130.68 0.06 Allowed 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.459 -179.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.499 ' H ' ' HB3' ' A' ' 60' ' ' GLN . . . -164.15 122.3 1.21 Allowed Pre-proline 0 N--CA 1.453 -0.282 0 O-C-N 122.357 -0.214 . . . . 0.0 110.436 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -50.29 -15.79 1.61 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.456 2.104 . . . . 0.0 112.816 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.44 144.25 97.67 Favored Pre-proline 0 C--N 1.333 -0.139 0 CA-C-O 120.69 0.281 . . . . 0.0 111.08 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.478 ' HB2' HD11 ' A' ' 66' ' ' ILE . 94.4 Cg_exo -43.03 -30.41 1.92 Allowed 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.907 2.405 . . . . 0.0 112.817 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.445 ' C ' HD12 ' A' ' 66' ' ' ILE . 1.7 m-80 65.81 -77.0 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.82 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.478 HD11 ' HB2' ' A' ' 64' ' ' PRO . 2.6 mp 75.09 -53.76 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.96 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.0 t -175.39 46.59 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.862 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.85 -116.34 5.55 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.625 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -175.97 -51.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.734 0.302 . . . . 0.0 111.009 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.545 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 0.6 OUTLIER -173.3 106.41 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.163 0.506 . . . . 0.0 111.085 179.742 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.79 -38.46 83.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.2 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -170.8 44.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.9 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 2.9 m80 59.98 105.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.982 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 33.2 p-80 -123.9 173.65 8.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.922 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -152.94 102.74 2.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.743 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -84.19 -25.67 29.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.254 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.883 -179.907 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.863 0.363 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -68.91 -40.98 78.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.029 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt 62.23 -85.31 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.819 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.426 HG22 ' H ' ' A' ' 5' ' ' ILE . 0.2 OUTLIER -74.64 -161.36 0.13 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.84 -0.164 . . . . 0.0 110.709 179.801 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.426 ' H ' HG22 ' A' ' 4' ' ' THR . 1.5 tt 38.43 33.14 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 120.904 0.383 . . . . 0.0 111.511 -179.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 32.9 p90 -86.76 -59.79 2.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.515 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.534 ' O ' ' HB2' ' A' ' 8' ' ' ASP . 0.6 OUTLIER 77.38 -50.77 0.54 Allowed 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.821 -0.172 . . . . 0.0 111.462 179.817 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.595 ' O ' ' HB2' ' A' ' 9' ' ' HIS . 54.5 m-20 86.64 107.56 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 122.982 0.513 . . . . 0.0 110.892 -179.577 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.595 ' HB2' ' O ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER 84.89 -23.32 0.17 Allowed 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.512 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.45 ' HB2' ' O ' ' A' ' 9' ' ' HIS . 0.2 OUTLIER 82.23 -9.25 1.2 Allowed 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 122.418 0.287 . . . . 0.0 111.33 -179.632 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.646 ' O ' HG22 ' A' ' 12' ' ' THR . 5.3 t-20 59.71 148.53 0.01 OUTLIER 'General case' 0 C--O 1.227 -0.13 0 CA-C-O 120.616 0.246 . . . . 0.0 110.92 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.646 HG22 ' O ' ' A' ' 11' ' ' ASN . 0.5 OUTLIER 66.96 -16.94 0.13 Allowed 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 179.789 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.461 ' H ' ' C ' ' A' ' 11' ' ' ASN . 2.4 m-80 39.78 73.15 0.87 Allowed Pre-proline 0 N--CA 1.465 0.288 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -81.87 -47.29 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.714 2.276 . . . . 0.0 112.778 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.3 tttt -62.14 -39.84 93.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.379 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.414 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 0.7 OUTLIER -71.08 -43.17 68.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.156 -179.569 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -64.41 -50.24 68.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.815 0.341 . . . . 0.0 110.96 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.497 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.8 tt -59.45 -49.56 77.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.292 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 19' ' ' ARG . 0.3 OUTLIER -61.91 -50.07 73.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.073 -179.57 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.534 ' O ' ' HB2' ' A' ' 24' ' ' PHE . 2.6 tp -59.93 -39.59 86.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.811 0.339 . . . . 0.0 110.793 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.497 ' O ' ' HB2' ' A' ' 25' ' ' GLN . 0.7 OUTLIER -60.59 -59.35 5.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.072 -179.897 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 18' ' ' LEU . 21.0 t -60.04 -46.36 94.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.686 -179.537 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.1 -55.04 38.84 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -179.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.534 ' HB2' ' O ' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -62.42 -40.63 97.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.653 0.263 . . . . 0.0 111.376 -179.424 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.497 ' HB2' ' O ' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -63.19 -54.56 35.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.477 -179.512 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.5 ttt -67.49 -51.47 50.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.743 -179.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.64 -65.14 0.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -179.007 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.421 ' HD2' ' CD2' ' A' ' 24' ' ' PHE . 0.6 OUTLIER -64.29 -38.21 90.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.444 -179.169 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.456 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . -61.6 -66.56 2.57 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.418 -0.896 . . . . 0.0 112.379 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.446 ' O ' ' HA3' ' A' ' 34' ' ' GLY . . . -58.63 -39.01 79.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.933 0.397 . . . . 0.0 110.757 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.88 -77.76 0.23 Allowed Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.764 -0.731 . . . . 0.0 113.065 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 14.5 t90 -57.03 -67.15 0.34 Allowed 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -178.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 29' ' ' GLY . . . -54.37 -37.13 64.63 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.664 0.268 . . . . 0.0 111.035 -178.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.446 ' HA3' ' O ' ' A' ' 30' ' ' ALA . . . -61.56 -51.14 59.67 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.091 -1.052 . . . . 0.0 111.863 179.203 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.14 -59.19 9.36 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.983 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.4 t -60.65 -53.72 45.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -179.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.63 ' O ' ' HB2' ' A' ' 41' ' ' LEU . 20.6 t80 -59.14 -67.01 0.41 Allowed 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.64 0.237 . . . . 0.0 111.64 -178.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.685 ' O ' ' HB2' ' A' ' 42' ' ' LEU . 93.9 m-85 -63.3 -44.55 94.69 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.922 -0.311 . . . . 0.0 111.191 -179.455 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.542 ' O ' HD23 ' A' ' 43' ' ' LEU . . . -59.5 -59.71 10.11 Favored Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.38 -0.914 . . . . 0.0 112.933 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 28.7 m -60.17 -49.77 76.3 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.63 ' HB2' ' O ' ' A' ' 37' ' ' PHE . 2.5 tp -60.08 -44.6 94.67 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.674 0.25 . . . . 0.0 111.674 -179.31 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.685 ' HB2' ' O ' ' A' ' 38' ' ' PHE . 0.7 OUTLIER -64.94 -39.49 93.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.644 0.259 . . . . 0.0 111.053 -179.686 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.542 HD23 ' O ' ' A' ' 39' ' ' GLY . 3.7 mm? -68.47 -52.77 28.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.201 -179.579 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.591 ' O ' ' HB2' ' A' ' 48' ' ' ARG . 1.9 pp -64.66 -44.04 96.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.315 -179.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.71 -51.31 58.29 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.915 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.512 ' O ' ' HB ' ' A' ' 50' ' ' VAL . 3.4 m-85 -63.35 -52.39 61.97 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.723 0.296 . . . . 0.0 111.632 -179.374 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -64.02 -51.23 65.18 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -178.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.591 ' HB2' ' O ' ' A' ' 44' ' ' ILE . 11.1 mtt180 -69.06 -52.39 29.0 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -179.341 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 15.3 t -73.43 -64.59 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -178.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.512 ' HB ' ' O ' ' A' ' 46' ' ' PHE . 19.0 t -65.72 -43.9 93.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.61 0.243 . . . . 0.0 111.572 -179.293 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.546 ' O ' ' HG3' ' A' ' 55' ' ' PRO . . . -62.56 -40.13 98.74 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.479 -0.867 . . . . 0.0 112.85 -179.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.43 ' HB2' ' O ' ' A' ' 48' ' ' ARG . 6.0 ttp-105 -85.71 -34.35 21.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 122.626 -0.338 . . . . 0.0 111.441 -179.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 1.5 ttm -80.76 -56.93 3.81 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -179.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.643 HD23 ' HA ' ' A' ' 57' ' ' GLN . 0.2 OUTLIER -159.95 90.1 1.84 Allowed Pre-proline 0 C--N 1.33 -0.253 0 N-CA-C 111.641 0.237 . . . . 0.0 111.641 -179.468 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.546 ' HG3' ' O ' ' A' ' 51' ' ' GLY . 26.4 Cg_exo -61.45 90.62 0.1 Allowed 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.433 2.089 . . . . 0.0 111.957 179.51 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 6.7 mm 56.11 35.2 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.835 0.35 . . . . 0.0 110.807 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.643 ' HA ' HD23 ' A' ' 54' ' ' LEU . 4.6 pt20 38.63 42.22 0.57 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.497 -179.621 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 48.4 83.09 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.402 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -86.05 -50.24 7.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.78 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.4 122.13 30.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.819 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.415 ' N ' ' HD3' ' A' ' 62' ' ' PRO . . . -165.86 61.84 0.75 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.01 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.415 ' HD3' ' N ' ' A' ' 61' ' ' ALA . 52.3 Cg_exo -52.73 -48.82 19.99 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.625 2.217 . . . . 0.0 112.77 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 49.13 79.37 0.35 Allowed Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 120.816 0.341 . . . . 0.0 111.109 -179.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -52.88 -34.62 66.89 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.745 2.297 . . . . 0.0 112.178 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.775 ' O ' HG22 ' A' ' 66' ' ' ILE . 3.1 t-20 -84.64 -54.11 4.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.337 179.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.775 HG22 ' O ' ' A' ' 65' ' ' ASN . 0.9 OUTLIER 85.73 -25.05 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.692 179.809 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.568 HG23 ' C ' ' A' ' 66' ' ' ILE . 2.3 p 85.41 -61.75 0.07 Allowed 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 122.964 0.506 . . . . 0.0 110.959 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.54 -175.85 29.52 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.151 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.485 ' O ' ' CB ' ' A' ' 70' ' ' LEU . . . -176.92 79.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.543 0.211 . . . . 0.0 111.092 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.485 ' CB ' ' O ' ' A' ' 69' ' ' ALA . 1.5 mt 91.52 -20.14 0.12 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.41 179.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -67.32 -13.98 62.5 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.211 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -86.41 89.94 8.04 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.744 0.307 . . . . 0.0 111.223 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -92.81 90.38 7.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.646 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 18.8 t-160 -139.93 -59.84 0.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.064 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 61.4 97.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.746 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.71 -35.68 81.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.017 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.601 ' O ' HD11 ' A' ' 5' ' ' ILE . . . . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 121.023 0.439 . . . . 0.0 111.733 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 64.51 9.58 5.15 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 179.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.404 ' O ' HG23 ' A' ' 4' ' ' THR . 0.0 OUTLIER 56.97 41.67 27.37 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 111.649 0.241 . . . . 0.0 111.649 179.255 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.539 ' O ' HG13 ' A' ' 5' ' ' ILE . 0.1 OUTLIER -164.96 94.73 0.67 Allowed 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 120.679 0.276 . . . . 0.0 111.561 179.715 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.638 HG22 ' O ' ' A' ' 5' ' ' ILE . 3.4 mp -156.1 27.46 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.419 ' O ' ' HB2' ' A' ' 7' ' ' ASN . 11.1 t80 -155.03 92.39 1.44 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.785 0.326 . . . . 0.0 110.68 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.526 ' HA ' HD21 ' A' ' 10' ' ' LEU . 89.3 m-20 67.23 167.6 0.24 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.865 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.415 ' O ' ' HB3' ' A' ' 9' ' ' HIS . 2.5 t70 75.66 110.06 0.07 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.579 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.415 ' HB3' ' O ' ' A' ' 8' ' ' ASP . 11.7 t-160 79.26 -62.96 0.28 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.283 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.526 HD21 ' HA ' ' A' ' 7' ' ' ASN . 97.0 mt 62.02 100.65 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.256 179.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -76.82 -51.5 11.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.388 179.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.6 p -85.13 134.34 34.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.597 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.506 ' HA ' HG23 ' A' ' 16' ' ' THR . 20.3 m-20 64.21 59.56 1.64 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.145 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.447 ' HD3' ' N ' ' A' ' 13' ' ' ASN . 52.2 Cg_exo -54.56 -42.16 70.68 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.227 1.951 . . . . 0.0 111.675 179.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.838 ' HB2' ' HB2' ' A' ' 19' ' ' ARG . 55.3 mmtt -145.27 -39.42 0.25 Allowed 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.015 -179.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.506 HG23 ' HA ' ' A' ' 13' ' ' ASN . 82.0 p 36.91 -95.72 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.492 ' O ' ' HB2' ' A' ' 21' ' ' TRP . 30.3 m120 -62.93 -42.68 99.88 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 120.732 0.301 . . . . 0.0 110.617 -179.492 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.452 ' O ' HG23 ' A' ' 22' ' ' VAL . 95.9 mt -66.58 -35.35 79.99 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.132 179.311 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.838 ' HB2' ' HB2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -61.77 -64.47 0.93 Allowed 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.272 0.558 . . . . 0.0 110.716 179.542 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.408 ' O ' ' HB2' ' A' ' 24' ' ' PHE . 3.5 pp -59.68 -31.75 69.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.171 -179.24 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.492 ' HB2' ' O ' ' A' ' 17' ' ' ASN . 13.3 t90 -61.59 -61.9 2.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.702 0.287 . . . . 0.0 110.986 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 18' ' ' LEU . 21.4 t -63.08 -46.43 96.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.52 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.519 ' O ' ' HB2' ' A' ' 27' ' ' MET . . . -56.92 -56.06 26.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.86 0.362 . . . . 0.0 111.221 -179.648 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.698 ' O ' ' HB3' ' A' ' 28' ' ' LYS . 6.4 m-85 -61.3 -35.9 78.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.93 0.395 . . . . 0.0 110.941 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -60.53 -63.87 1.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.064 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 21.2 mmt -69.1 -53.91 17.79 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.519 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -65.88 -64.87 0.76 Allowed 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -178.526 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.698 ' HB3' ' O ' ' A' ' 24' ' ' PHE . 7.8 tttp -63.67 -38.1 89.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.823 -0.171 . . . . 0.0 111.121 -178.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.8 -66.54 2.57 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.497 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.18 -42.83 99.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.86 0.362 . . . . 0.0 110.566 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.463 ' O ' ' HA3' ' A' ' 35' ' ' GLY . . . -59.73 -37.76 92.87 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.573 -0.822 . . . . 0.0 111.903 179.482 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.625 ' HB3' ' O ' ' A' ' 28' ' ' LYS . 0.4 OUTLIER -62.67 -66.16 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.788 0.328 . . . . 0.0 110.501 179.629 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.482 ' N ' ' CG ' ' A' ' 32' ' ' TRP . . . -58.9 -61.45 2.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.0 0.429 . . . . 0.0 110.98 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.448 ' O ' ' HB2' ' A' ' 38' ' ' PHE . . . -59.07 -44.16 96.5 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.685 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.463 ' HA3' ' O ' ' A' ' 31' ' ' GLY . . . -59.36 -52.85 50.74 Favored Glycine 0 CA--C 1.517 0.215 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.997 -179.562 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.509 ' O ' HG23 ' A' ' 40' ' ' THR . 51.0 t -66.76 -47.54 82.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.654 0.264 . . . . 0.0 111.297 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.614 ' O ' ' HB2' ' A' ' 41' ' ' LEU . 15.0 m-85 -60.11 -62.23 2.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.96 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.531 ' O ' HD23 ' A' ' 42' ' ' LEU . 6.4 m-85 -64.23 -38.7 91.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.754 0.311 . . . . 0.0 111.123 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.5 -63.82 4.78 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.35 -0.929 . . . . 0.0 112.965 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.509 HG23 ' O ' ' A' ' 36' ' ' VAL . 22.4 p -60.54 -45.4 94.02 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.798 0.295 . . . . 0.0 111.798 -179.476 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.614 ' HB2' ' O ' ' A' ' 37' ' ' PHE . 3.8 tp -60.56 -46.21 91.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.645 -179.289 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.531 HD23 ' O ' ' A' ' 38' ' ' PHE . 4.1 mm? -66.07 -42.81 88.91 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -179.445 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.98 -55.54 12.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.674 0.273 . . . . 0.0 111.233 -179.317 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.411 HG12 ' O ' ' A' ' 40' ' ' THR . 28.3 mm -65.6 -47.97 84.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.271 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -60.44 -53.19 47.58 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.944 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -62.35 -48.76 78.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.877 0.37 . . . . 0.0 110.964 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -64.88 -32.12 73.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.125 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 48' ' ' ARG . 7.3 mtm180 -66.86 -52.33 44.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.512 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.639 ' O ' ' HA ' ' A' ' 53' ' ' MET . 17.2 t -72.98 -53.34 18.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.724 -179.197 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 26.4 t -64.96 -41.75 92.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.031 0.443 . . . . 0.0 110.269 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -73.43 -71.98 1.04 Allowed Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 115.733 -0.667 . . . . 0.0 113.868 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.435 ' HB3' ' HD3' ' A' ' 55' ' ' PRO . 6.0 mpt_? -84.57 -26.63 27.85 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -178.304 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.639 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 13.1 tpt 74.52 41.06 0.37 Allowed 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.068 0.461 . . . . 0.0 110.097 -178.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 60.35 80.17 0.27 Allowed Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.45 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.435 ' HD3' ' HB3' ' A' ' 52' ' ' ARG . 58.3 Cg_endo -76.11 -32.6 4.08 Favored 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 122.628 2.219 . . . . 0.0 112.193 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 8.2 pt -80.41 -35.16 15.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.086 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.431 ' O ' ' CB ' ' A' ' 58' ' ' GLU . 0.0 OUTLIER 67.65 37.53 3.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.431 ' CB ' ' O ' ' A' ' 57' ' ' GLN . 0.1 OUTLIER 83.31 172.67 0.09 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.026 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -86.94 -39.4 15.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.247 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -89.91 -100.74 0.1 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.223 -179.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 58.63 161.37 0.09 OUTLIER Pre-proline 0 C--O 1.232 0.133 0 CA-C-O 120.833 0.349 . . . . 0.0 110.967 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.623 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 54.3 Cg_exo -52.79 -22.21 17.15 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.537 2.158 . . . . 0.0 112.338 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.623 ' HB3' ' O ' ' A' ' 62' ' ' PRO . . . 87.88 104.73 0.03 OUTLIER Pre-proline 0 N--CA 1.466 0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -74.99 -167.04 0.38 Allowed 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.561 2.174 . . . . 0.0 112.609 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 58.68 35.38 24.41 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.507 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.565 HG13 ' H ' ' A' ' 67' ' ' THR . 3.7 pt -74.25 -52.71 19.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.332 -179.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.565 ' H ' HG13 ' A' ' 66' ' ' ILE . 0.2 OUTLIER 77.27 -5.86 2.1 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.254 -179.879 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -176.62 144.14 6.75 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.934 -0.65 . . . . 0.0 112.079 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -176.72 -35.68 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.82 0.343 . . . . 0.0 111.078 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.0 tt -63.95 -48.9 74.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.67 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -174.56 157.76 2.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.949 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -125.02 121.0 33.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.802 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -169.81 -68.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.115 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -77.45 177.08 8.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 62.37 18.94 10.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.134 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -169.37 61.77 0.05 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.921 0.391 . . . . 0.0 110.825 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.211 -0.899 . . . . 0.0 110.965 -179.945 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.869 0.366 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -60.52 -31.29 70.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.611 ' O ' HG23 ' A' ' 4' ' ' THR . 0.0 OUTLIER -54.22 116.98 2.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.998 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.611 HG23 ' O ' ' A' ' 3' ' ' LYS . 0.6 OUTLIER -167.73 -41.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.366 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 4' ' ' THR . 6.9 pt 34.81 -125.19 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.683 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 67.14 -84.42 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.167 0 O-C-N 122.256 -0.278 . . . . 0.0 111.067 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 -73.95 -34.33 64.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.787 0.327 . . . . 0.0 111.067 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.542 ' O ' ' HB2' ' A' ' 9' ' ' HIS . 0.3 OUTLIER -70.37 -50.86 34.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.056 -179.742 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.542 ' HB2' ' O ' ' A' ' 8' ' ' ASP . 87.4 m-70 79.95 -178.11 0.08 Allowed 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.856 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 22.9 mt 75.68 94.46 0.07 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 15.0 p-10 -69.19 -28.6 66.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.929 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 61.5 m 61.34 -103.4 0.14 Allowed 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.062 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.557 ' HB3' HG22 ' A' ' 16' ' ' THR . 0.2 OUTLIER 39.09 95.51 0.04 OUTLIER Pre-proline 0 N--CA 1.467 0.402 0 CA-C-O 120.88 0.371 . . . . 0.0 111.575 -179.844 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -51.5 -41.36 60.64 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.723 2.282 . . . . 0.0 112.915 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.2 -48.48 68.05 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.557 HG22 ' HB3' ' A' ' 13' ' ' ASN . 4.7 t -73.48 -30.09 62.93 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.693 0.282 . . . . 0.0 111.468 -179.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -62.71 -57.24 11.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.793 0.33 . . . . 0.0 110.933 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.56 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -62.77 -39.76 95.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 40.6 ttt180 -61.83 -50.9 70.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.896 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.542 HD12 ' O ' ' A' ' 16' ' ' THR . 0.2 OUTLIER -62.03 -39.8 93.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.048 179.877 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.59 -54.45 42.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.1 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 18' ' ' LEU . 43.3 t -62.51 -43.6 98.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.114 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.18 -50.84 72.1 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.757 0.313 . . . . 0.0 111.087 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.404 ' O ' ' HB2' ' A' ' 28' ' ' LYS . 0.6 OUTLIER -62.57 -42.81 99.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.11 -179.849 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -63.16 -46.08 88.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.249 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -43.43 79.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.247 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.462 ' O ' ' HA3' ' A' ' 31' ' ' GLY . 15.6 mtt -64.73 -56.17 15.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.017 -179.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 24' ' ' PHE . 2.6 mttt -65.87 -50.93 62.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.818 0.342 . . . . 0.0 110.636 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.763 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . -57.98 -74.1 0.38 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.644 -179.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.435 ' O ' ' HA3' ' A' ' 34' ' ' GLY . . . -59.04 -29.11 67.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.795 0.298 . . . . 0.0 111.085 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.462 ' HA3' ' O ' ' A' ' 27' ' ' MET . . . -62.77 -77.65 0.2 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.971 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.477 ' CG ' ' N ' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -74.42 -51.06 16.04 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 111.594 0.22 . . . . 0.0 111.594 -179.128 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.763 ' HB3' ' O ' ' A' ' 29' ' ' GLY . . . -57.79 -40.67 80.4 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 179.533 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.526 ' O ' ' HB2' ' A' ' 38' ' ' PHE . . . -65.18 -41.85 96.72 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.411 -0.9 . . . . 0.0 111.703 178.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -60.33 -46.4 94.36 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.298 -0.953 . . . . 0.0 112.036 179.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 32' ' ' TRP . 37.9 t -68.19 -52.88 33.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.891 0.377 . . . . 0.0 111.254 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.558 ' O ' ' HB2' ' A' ' 41' ' ' LEU . 7.1 t80 -60.24 -59.4 5.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.079 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.719 ' O ' ' HB2' ' A' ' 42' ' ' LEU . 0.1 OUTLIER -63.74 -47.19 82.04 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.626 -179.811 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -61.75 -66.44 2.64 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.926 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 17.3 m -50.5 -56.16 12.82 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.689 0.281 . . . . 0.0 111.655 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.819 HD12 HD11 ' A' ' 44' ' ' ILE . 6.2 tp -55.44 -39.28 70.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.532 -179.351 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.719 ' HB2' ' O ' ' A' ' 38' ' ' PHE . 0.2 OUTLIER -65.88 -42.01 90.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.639 0.256 . . . . 0.0 110.642 179.755 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.24 -51.92 52.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.108 -179.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.819 HD11 HD12 ' A' ' 41' ' ' LEU . 0.8 OUTLIER -63.04 -44.61 99.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.612 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.95 -42.33 99.7 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.482 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.587 ' HB2' ' O ' ' A' ' 42' ' ' LEU . 0.1 OUTLIER -63.31 -49.26 74.68 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.962 0.41 . . . . 0.0 110.465 179.86 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -67.33 -29.82 69.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.728 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.576 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -66.76 -49.89 64.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.571 179.554 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.533 HG13 ' N ' ' A' ' 50' ' ' VAL . 9.2 p -72.25 -50.47 35.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.46 -179.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.533 ' N ' HG13 ' A' ' 49' ' ' VAL . 41.5 t -67.23 -46.12 84.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.91 0.386 . . . . 0.0 110.751 179.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.07 -30.94 77.03 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.394 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.576 ' HB2' ' O ' ' A' ' 48' ' ' ARG . 9.9 mtp180 -80.72 -27.12 37.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.88 0.372 . . . . 0.0 110.643 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.589 ' O ' HG22 ' A' ' 56' ' ' ILE . 0.2 OUTLIER -76.79 -27.89 55.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.992 -179.65 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.427 ' N ' ' HD2' ' A' ' 55' ' ' PRO . 12.8 mt -44.7 -59.57 3.91 Favored Pre-proline 0 CA--C 1.531 0.227 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.431 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.427 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 49.4 Cg_endo -69.26 81.39 0.69 Allowed 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.567 2.178 . . . . 0.0 112.328 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.589 HG22 ' O ' ' A' ' 53' ' ' MET . 10.1 tp -159.08 -25.5 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 CA-C-N 115.891 -0.595 . . . . 0.0 112.465 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -161.63 -31.06 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.538 0.208 . . . . 0.0 111.393 -179.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -17.16 63.0 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-O 120.689 0.28 . . . . 0.0 111.026 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -138.59 -6.01 1.54 Allowed 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.828 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.62 ' O ' ' HB3' ' A' ' 61' ' ' ALA . 6.3 mm100 -97.57 -163.09 1.01 Allowed 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 110.502 -0.184 . . . . 0.0 110.502 179.563 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.62 ' HB3' ' O ' ' A' ' 60' ' ' GLN . . . 84.15 129.38 0.03 OUTLIER Pre-proline 0 N--CA 1.465 0.281 0 CA-C-O 120.718 0.294 . . . . 0.0 111.29 179.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.6 ' O ' ' HB ' ' A' ' 66' ' ' ILE . 35.1 Cg_endo -65.05 -16.36 54.9 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 123.262 2.641 . . . . 0.0 114.094 -179.047 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.832 ' HB3' ' HD3' ' A' ' 64' ' ' PRO . . . -73.98 -63.18 0.94 Allowed Pre-proline 0 C--N 1.327 -0.399 0 C-N-CA 120.771 -0.372 . . . . 0.0 111.468 -179.676 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.832 ' HD3' ' HB3' ' A' ' 63' ' ' ALA . 77.5 Cg_endo -75.25 132.15 14.79 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.244 2.629 . . . . 0.0 113.341 -179.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.1 m120 69.7 -43.71 0.54 Allowed 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.797 0.665 . . . . 0.0 112.797 178.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.635 ' O ' HG23 ' A' ' 67' ' ' THR . 27.3 mm -70.09 -29.81 41.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -179.067 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.635 HG23 ' O ' ' A' ' 66' ' ' ILE . 0.1 OUTLIER -175.13 -93.92 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 111.735 0.272 . . . . 0.0 111.735 179.452 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.55 ' O ' ' HB3' ' A' ' 69' ' ' ALA . . . 97.24 -116.31 5.47 Favored Glycine 0 C--N 1.333 0.389 0 C-N-CA 120.561 -0.828 . . . . 0.0 112.192 -179.542 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' A' ' 68' ' ' GLY . . . 84.01 116.66 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 122.858 0.463 . . . . 0.0 111.382 179.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.86 -42.55 85.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -173.43 -36.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.231 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -57.51 87.88 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.789 0.328 . . . . 0.0 111.043 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 58.8 m170 -90.75 173.61 7.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.763 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -118.52 37.44 4.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.039 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -72.37 -55.01 7.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.826 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.629 ' HB3' ' HD2' ' A' ' 77' ' ' HIS . 3.6 m-70 62.19 152.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.725 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.629 ' HD2' ' HB3' ' A' ' 76' ' ' HIS . 33.5 m-70 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.238 -0.886 . . . . 0.0 110.751 -179.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 120.729 0.299 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.766 ' HA ' HD12 ' A' ' 5' ' ' ILE . 0.6 OUTLIER -85.9 -29.37 23.7 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.004 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.62 -26.19 42.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.184 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.95 -46.54 57.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.814 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.766 HD12 ' HA ' ' A' ' 2' ' ' ASP . 1.0 OUTLIER -73.67 -62.26 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.328 -179.794 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.569 ' O ' ' HB2' ' A' ' 7' ' ' ASN . 0.1 OUTLIER 59.09 -177.31 0.09 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.773 -179.606 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.569 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 17.2 m-80 75.29 -68.58 0.2 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.482 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.1 t70 54.28 34.56 20.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.954 -179.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.413 ' C ' ' H ' ' A' ' 11' ' ' ASN . 0.2 OUTLIER -69.45 -49.8 51.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.902 179.915 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 76.21 -34.13 0.23 Allowed 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.971 -179.363 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.413 ' H ' ' C ' ' A' ' 9' ' ' HIS . 36.3 t30 59.15 -152.05 0.41 Allowed 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.809 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 63.37 27.78 15.39 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-O 120.842 0.353 . . . . 0.0 111.079 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.634 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.4 m120 -72.81 -51.3 6.7 Favored Pre-proline 0 CA--C 1.534 0.354 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.537 179.622 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.634 ' HD2' ' N ' ' A' ' 13' ' ' ASN . 9.9 Cg_endo -51.7 -24.28 17.45 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.753 2.302 . . . . 0.0 112.678 -179.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.616 ' O ' ' HB2' ' A' ' 19' ' ' ARG . 2.8 mptt -56.46 -27.43 56.86 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.353 -179.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.0 m -72.87 -48.38 37.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.746 0.308 . . . . 0.0 111.293 -179.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -64.39 -48.61 74.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.949 0.404 . . . . 0.0 110.921 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.636 ' O ' HG22 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -59.68 -43.23 94.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.219 -179.846 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.616 ' HB2' ' O ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -63.85 -51.73 63.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.559 -179.444 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 75.8 mt -61.81 -41.93 98.38 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.817 0.341 . . . . 0.0 110.765 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 4.0 t-105 -63.06 -51.4 66.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.421 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.636 HG22 ' O ' ' A' ' 18' ' ' LEU . 24.1 m -60.78 -48.3 89.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.523 -179.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.506 ' N ' HG23 ' A' ' 22' ' ' VAL . . . -59.37 -42.21 91.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.142 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.69 -43.08 94.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.917 0.389 . . . . 0.0 110.633 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -64.8 -40.28 94.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.917 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.707 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -65.65 -46.87 77.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.228 -179.828 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -53.04 36.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.377 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.474 ' O ' ' HD1' ' A' ' 32' ' ' TRP . 17.7 tttt -66.6 -57.18 7.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.214 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.531 ' HA2' ' CD1' ' A' ' 32' ' ' TRP . . . -59.84 -64.3 4.32 Favored Glycine 0 C--N 1.332 0.328 0 CA-C-N 115.978 -0.556 . . . . 0.0 113.364 -179.54 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.707 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . -62.0 -38.14 87.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.816 0.341 . . . . 0.0 111.563 -179.392 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.63 -54.85 32.39 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.64 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.531 ' CD1' ' HA2' ' A' ' 29' ' ' GLY . 3.3 p-90 -62.22 -50.58 71.2 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 122.846 -0.208 . . . . 0.0 111.444 -179.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.466 ' N ' ' CG ' ' A' ' 32' ' ' TRP . . . -55.48 -50.93 68.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.838 0.351 . . . . 0.0 110.805 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.51 ' O ' ' HB2' ' A' ' 38' ' ' PHE . . . -63.08 -37.67 95.32 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.502 -0.856 . . . . 0.0 111.813 179.34 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.66 -52.32 49.54 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.388 -0.911 . . . . 0.0 112.38 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 32' ' ' TRP . 25.8 t -66.03 -48.72 80.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.698 0.285 . . . . 0.0 111.61 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.456 ' O ' ' HB2' ' A' ' 41' ' ' LEU . 5.7 m-85 -61.21 -48.44 81.52 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.003 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.51 ' HB2' ' O ' ' A' ' 34' ' ' GLY . 5.6 t80 -65.02 -47.93 75.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.834 0.349 . . . . 0.0 111.23 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -62.21 -55.42 27.91 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.765 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.46 ' O ' HG12 ' A' ' 44' ' ' ILE . 30.1 m -55.18 -41.5 72.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.676 0.274 . . . . 0.0 111.01 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.456 ' HB2' ' O ' ' A' ' 37' ' ' PHE . 0.7 OUTLIER -63.49 -35.73 81.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.847 0.356 . . . . 0.0 110.827 179.881 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.438 ' O ' ' HB2' ' A' ' 46' ' ' PHE . 1.6 tp -69.95 -45.32 67.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.132 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.85 -56.03 9.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.923 0.392 . . . . 0.0 111.146 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.515 ' O ' ' HG3' ' A' ' 48' ' ' ARG . 32.2 mm -63.53 -44.73 98.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.536 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.562 ' O ' HG12 ' A' ' 49' ' ' VAL . . . -61.82 -43.57 99.04 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.493 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.794 ' CE1' HG21 ' A' ' 50' ' ' VAL . 39.7 t80 -63.62 -50.15 70.5 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.778 0.323 . . . . 0.0 111.047 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.476 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 0.1 OUTLIER -64.2 -27.94 69.41 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.04 0.447 . . . . 0.0 110.623 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.515 ' HG3' ' O ' ' A' ' 44' ' ' ILE . 0.0 OUTLIER -69.99 -59.62 2.8 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.798 179.639 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.67 HG13 HG23 ' A' ' 50' ' ' VAL . 9.2 p -75.38 -54.21 14.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.264 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.794 HG21 ' CE1' ' A' ' 46' ' ' PHE . 23.4 t -73.71 -47.53 43.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -179.633 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.476 ' HA3' ' O ' ' A' ' 47' ' ' PHE . . . -59.78 -6.52 5.13 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.29 -0.957 . . . . 0.0 112.497 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.405 ' O ' ' CG ' ' A' ' 53' ' ' MET . 3.4 ttp180 74.59 42.54 0.29 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.283 0.563 . . . . 0.0 110.471 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.405 ' CG ' ' O ' ' A' ' 52' ' ' ARG . 9.8 ptt? 46.4 28.96 0.79 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.327 -0.852 . . . . 0.0 111.707 179.538 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.613 ' HB3' ' HD3' ' A' ' 55' ' ' PRO . 2.4 tm? -52.35 -49.99 82.16 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.62 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.613 ' HD3' ' HB3' ' A' ' 54' ' ' LEU . 80.8 Cg_exo -46.44 109.28 0.19 Allowed 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.62 2.213 . . . . 0.0 112.964 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.538 HG22 ' N ' ' A' ' 57' ' ' GLN . 26.1 mm 66.5 161.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.535 179.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.538 ' N ' HG22 ' A' ' 56' ' ' ILE . 2.5 tp-100 80.46 -39.19 0.16 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.377 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.609 ' HG3' HD22 ' A' ' 54' ' ' LEU . 1.5 tm-20 -69.16 -52.24 30.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.313 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' A' ' 58' ' ' GLU . 27.9 m-20 64.96 8.84 4.95 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.595 -179.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 55.18 24.13 6.0 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.69 0.281 . . . . 0.0 111.127 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.427 ' HB1' ' HD2' ' A' ' 62' ' ' PRO . . . 65.02 162.61 0.12 Allowed Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.281 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.573 ' HD2' HD21 ' A' ' 65' ' ' ASN . 50.6 Cg_exo -55.05 -22.8 32.58 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.99 2.46 . . . . 0.0 112.536 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.971 ' HB3' ' HD3' ' A' ' 64' ' ' PRO . . . 98.31 -68.81 0.0 OUTLIER Pre-proline 0 N--CA 1.473 0.712 0 C-N-CA 124.055 0.942 . . . . 0.0 111.464 -179.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.971 ' HD3' ' HB3' ' A' ' 63' ' ' ALA . 12.6 Cg_exo -70.5 55.5 1.59 Allowed 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 122.07 1.847 . . . . 0.0 112.159 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.573 HD21 ' HD2' ' A' ' 62' ' ' PRO . 1.4 m-80 -86.0 -31.01 22.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.907 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.432 HG22 ' H ' ' A' ' 68' ' ' GLY . 18.0 mt 81.15 144.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.714 -179.686 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.8 t -60.7 -36.94 80.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.864 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.548 ' O ' ' HB3' ' A' ' 69' ' ' ALA . . . -173.35 -168.51 34.59 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.508 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.548 ' HB3' ' O ' ' A' ' 68' ' ' GLY . . . 85.31 -60.17 0.08 Allowed 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 122.897 0.479 . . . . 0.0 110.883 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.601 ' O ' ' HB2' ' A' ' 71' ' ' GLU . 3.9 mm? 67.61 100.97 0.05 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.719 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.601 ' HB2' ' O ' ' A' ' 70' ' ' LEU . 5.1 mm-40 82.97 176.63 0.07 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.759 -179.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -112.02 161.59 16.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.645 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -63.62 -74.29 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.943 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 64.68 44.42 3.84 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.919 0.39 . . . . 0.0 110.927 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -127.62 94.15 3.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.012 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -154.74 151.83 29.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.566 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 7.0 p-80 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.976 -179.474 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.691 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.46 48.67 0.26 Allowed 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 120.847 0.356 . . . . 0.0 111.139 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -162.38 96.18 0.95 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.873 0.368 . . . . 0.0 110.57 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -69.9 134.05 48.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.887 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.737 HG13 ' H ' ' A' ' 6' ' ' PHE . 6.8 tp 41.73 -153.14 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.692 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.737 ' H ' HG13 ' A' ' 5' ' ' ILE . 34.8 m-85 59.67 164.51 0.05 Allowed 'General case' 0 C--N 1.331 -0.233 0 O-C-N 122.058 -0.401 . . . . 0.0 110.938 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 60.45 43.32 13.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.762 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -166.62 118.38 0.98 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.963 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -67.38 175.53 2.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.261 -179.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 71.28 -72.75 0.11 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.681 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -56.34 132.82 52.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.119 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.538 ' O ' ' HB2' ' A' ' 13' ' ' ASN . 0.3 OUTLIER 60.33 -138.16 0.64 Allowed 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.808 179.743 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.538 ' HB2' ' O ' ' A' ' 12' ' ' THR . 10.8 m120 73.53 128.56 0.03 OUTLIER Pre-proline 0 N--CA 1.462 0.159 0 CA-C-O 120.66 0.267 . . . . 0.0 111.04 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -61.18 -24.92 80.04 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.517 2.145 . . . . 0.0 112.145 179.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.2 mttp -46.45 -39.68 11.02 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.266 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 68.7 p -72.4 -42.11 65.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.054 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.57 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 9.1 t-20 -64.54 -43.11 95.03 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.06 0.457 . . . . 0.0 110.737 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.514 ' O ' HG23 ' A' ' 22' ' ' VAL . 33.8 mt -67.69 -36.13 80.1 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.303 179.573 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -62.71 -52.56 62.78 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.131 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 17' ' ' ASN . 3.7 pp -61.2 -38.27 85.96 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.679 0.276 . . . . 0.0 110.677 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.426 ' O ' ' HB2' ' A' ' 25' ' ' GLN . 43.3 t-105 -60.75 -55.29 34.88 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.917 179.602 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 18' ' ' LEU . 46.6 t -61.29 -45.39 98.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.34 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.1 -55.34 36.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.762 0.315 . . . . 0.0 111.657 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.91 -44.54 96.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.499 -179.395 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.426 ' HB2' ' O ' ' A' ' 21' ' ' TRP . 2.8 tp60 -63.37 -45.54 90.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.775 0.321 . . . . 0.0 111.212 -179.566 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.484 ' HB2' ' O ' ' A' ' 22' ' ' VAL . 2.4 tpt -66.13 -36.67 83.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.111 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 77.4 mtp -65.01 -52.55 55.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.18 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.6 mtmm -65.89 -52.86 46.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.556 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.409 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . -63.04 -66.89 2.31 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 121.016 -0.612 . . . . 0.0 113.689 -178.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . -60.53 -42.85 97.31 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -178.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.0 -63.72 4.81 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.891 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.662 ' O ' HG23 ' A' ' 36' ' ' VAL . 2.3 t90 -61.88 -60.09 4.16 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -179.381 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 29' ' ' GLY . . . -56.29 -51.77 66.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.627 -179.136 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.17 -45.51 95.88 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.434 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -60.7 -53.0 48.99 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.67 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 32' ' ' TRP . 19.4 t -65.32 -52.21 55.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 111.618 0.229 . . . . 0.0 111.618 -179.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -57.63 -58.1 9.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.559 -0.292 . . . . 0.0 111.42 -179.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -65.59 -35.91 82.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.759 0.314 . . . . 0.0 111.159 -179.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -62.79 -55.84 24.58 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.899 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.504 HG22 ' O ' ' A' ' 36' ' ' VAL . 14.6 t -66.92 -41.91 86.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.761 0.315 . . . . 0.0 111.344 -179.631 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.3 tp -57.78 -50.19 74.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.851 0.357 . . . . 0.0 111.161 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.588 ' O ' ' HB2' ' A' ' 46' ' ' PHE . 1.7 tp -72.98 -44.79 60.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.512 -179.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 85.4 mt -68.18 -62.23 1.49 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.734 0.302 . . . . 0.0 111.491 -179.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 33.4 mm -64.05 -39.1 84.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.267 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.2 -50.28 66.69 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.789 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.588 ' HB2' ' O ' ' A' ' 42' ' ' LEU . 0.3 OUTLIER -64.51 -46.2 83.97 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.661 0.267 . . . . 0.0 111.047 -179.744 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.99 -33.92 77.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.935 0.398 . . . . 0.0 110.581 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.826 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 22.6 ttp180 -67.64 -49.51 62.57 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.211 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.557 HG23 ' N ' ' A' ' 50' ' ' VAL . 35.4 m -72.31 -50.81 33.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 121.125 -0.23 . . . . 0.0 111.386 -179.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.676 HG12 HD12 ' A' ' 54' ' ' LEU . 41.9 t -67.02 -50.66 62.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.785 0.326 . . . . 0.0 110.747 179.687 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.1 -21.6 61.79 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.789 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.826 ' HB2' ' O ' ' A' ' 48' ' ' ARG . 0.5 OUTLIER -79.0 -20.16 49.77 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.617 0.228 . . . . 0.0 111.617 -179.762 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 20.6 mtm -152.17 36.63 0.54 Allowed 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.827 -179.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.676 HD12 HG12 ' A' ' 50' ' ' VAL . 5.1 tt -71.58 -52.2 8.66 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.638 -0.255 . . . . 0.0 110.697 179.241 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.568 ' HD3' ' HB3' ' A' ' 54' ' ' LEU . 71.8 Cg_endo -75.49 -30.25 6.68 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.608 2.206 . . . . 0.0 112.649 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.485 ' O ' ' HB2' ' A' ' 57' ' ' GLN . 3.0 mp -80.43 -39.34 18.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.518 -179.349 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.485 ' HB2' ' O ' ' A' ' 56' ' ' ILE . 70.4 mt-30 69.24 57.47 0.36 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.303 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 79.85 134.7 0.06 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.032 179.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.6 p30 -82.77 107.15 15.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.889 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -147.67 54.48 1.06 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.649 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.15 123.86 89.15 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.076 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_exo -51.52 92.36 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.415 2.077 . . . . 0.0 112.207 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.429 ' HA ' ' HD2' ' A' ' 64' ' ' PRO . . . -65.25 121.27 73.65 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.649 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 63' ' ' ALA . 8.0 Cg_endo -49.64 -63.01 0.33 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.779 2.319 . . . . 0.0 112.956 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -82.6 104.61 12.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.909 0.385 . . . . 0.0 111.648 -179.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.9 tp -170.64 -33.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.187 179.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -176.81 -167.85 0.2 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.51 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.22 66.42 0.23 Allowed Glycine 0 CA--C 1.518 0.237 0 C-N-CA 120.751 -0.737 . . . . 0.0 113.092 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.432 ' O ' ' CB ' ' A' ' 70' ' ' LEU . . . -63.85 -69.06 0.3 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.681 0.277 . . . . 0.0 111.119 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.432 ' CB ' ' O ' ' A' ' 69' ' ' ALA . 0.3 OUTLIER 83.17 -72.97 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.28 179.604 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.525 ' HG3' ' H ' ' A' ' 72' ' ' HIS . 3.9 pt-20 28.96 -94.87 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.203 -179.694 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.525 ' H ' ' HG3' ' A' ' 71' ' ' GLU . 8.0 p80 -146.04 -27.69 0.43 Allowed 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 120.717 0.294 . . . . 0.0 110.846 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 1.2 t60 68.53 158.09 0.15 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.938 0.399 . . . . 0.0 110.951 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 46.4 m80 -71.5 -24.32 61.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.995 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 53.4 t60 67.36 -72.78 0.09 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.547 179.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 12.5 m170 62.96 98.32 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.973 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.205 -0.903 . . . . 0.0 111.014 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.567 0.222 . . . . 0.0 111.381 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.08 94.35 0.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.786 0.327 . . . . 0.0 110.976 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.434 ' O ' ' HG3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -59.33 117.64 5.04 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.622 179.677 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 56.23 35.9 26.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.56 -179.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.559 ' O ' HG13 ' A' ' 5' ' ' ILE . 10.6 tp 35.66 34.57 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 CA-C-N 115.778 -0.647 . . . . 0.0 112.109 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER 49.05 23.22 0.7 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.958 179.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.496 ' O ' ' HB2' ' A' ' 8' ' ' ASP . 0.7 OUTLIER -74.76 -43.72 53.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.735 0.303 . . . . 0.0 111.033 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.632 ' O ' ' HB2' ' A' ' 9' ' ' HIS . 1.0 OUTLIER 72.78 94.61 0.08 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.299 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.632 ' HB2' ' O ' ' A' ' 8' ' ' ASP . 1.6 m-70 83.62 -30.87 0.08 Allowed 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.632 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 60.61 105.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.456 ' ND2' ' H ' ' A' ' 12' ' ' THR . 4.5 p-10 -106.98 -95.77 0.37 Allowed 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 121.12 -0.232 . . . . 0.0 111.401 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.485 ' O ' HG23 ' A' ' 12' ' ' THR . 9.0 t -86.78 116.19 24.71 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.758 0.313 . . . . 0.0 111.309 -179.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.836 ' HB3' ' HD3' ' A' ' 14' ' ' PRO . 20.6 t-20 -166.87 -59.53 0.01 OUTLIER Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.053 178.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.836 ' HD3' ' HB3' ' A' ' 13' ' ' ASN . 50.2 Cg_exo -54.36 -17.6 12.59 Favored 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 122.21 1.94 . . . . 0.0 112.175 178.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.954 ' HB2' ' HB2' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -117.06 -50.54 2.58 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.85 -179.416 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.634 ' H ' ' HG2' ' A' ' 15' ' ' LYS . 55.3 m 27.49 -96.13 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 179.219 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.531 ' O ' ' HB2' ' A' ' 21' ' ' TRP . 4.3 m-20 -66.35 -38.42 87.57 Favored 'General case' 0 N--CA 1.462 0.134 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -179.023 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.591 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.1 tt -62.99 -54.83 32.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.792 0.329 . . . . 0.0 110.986 -179.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.954 ' HB2' ' HB2' ' A' ' 15' ' ' LYS . 15.4 tpt85 -59.87 -46.09 90.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.052 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.573 ' HG ' ' CD2' ' A' ' 24' ' ' PHE . 6.3 tp -63.58 -41.36 98.38 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.471 -179.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.531 ' HB2' ' O ' ' A' ' 17' ' ' ASN . 0.1 OUTLIER -62.54 -51.52 67.06 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.804 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 18' ' ' LEU . 40.9 t -60.72 -50.37 80.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.49 -179.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.58 -53.02 62.89 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -179.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.573 ' CD2' ' HG ' ' A' ' 20' ' ' LEU . 8.1 m-85 -63.53 -49.91 71.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.854 -179.133 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.439 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 26.8 tt0 -61.22 -44.53 97.13 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.575 -179.014 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.425 ' HB2' ' O ' ' A' ' 22' ' ' VAL . 4.6 tmm? -66.62 -54.21 25.78 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.744 0.306 . . . . 0.0 111.327 -179.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -67.44 -64.36 0.87 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -179.202 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.0 tttm -65.45 -42.71 92.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.289 -0.414 . . . . 0.0 112.046 -178.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.439 ' HA3' ' O ' ' A' ' 25' ' ' GLN . . . -61.22 -67.52 2.08 Favored Glycine 0 N--CA 1.454 -0.151 0 C-N-CA 120.48 -0.867 . . . . 0.0 112.535 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.73 -35.36 79.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.806 0.336 . . . . 0.0 111.044 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.99 -65.31 3.39 Favored Glycine 0 C--N 1.331 0.275 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.968 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 43.3 t90 -61.31 -54.28 45.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.756 0.312 . . . . 0.0 111.126 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.749 ' O ' ' HB2' ' A' ' 37' ' ' PHE . . . -55.85 -70.13 0.12 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.373 -179.38 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.743 ' O ' ' HB2' ' A' ' 38' ' ' PHE . . . -59.04 -39.07 93.85 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.385 -0.912 . . . . 0.0 112.404 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.42 -67.33 2.16 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.774 -0.727 . . . . 0.0 113.315 -179.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.5 t -63.23 -47.86 90.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 -178.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.749 ' HB2' ' O ' ' A' ' 33' ' ' ALA . 0.1 OUTLIER -58.95 -54.7 44.14 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 111.634 0.235 . . . . 0.0 111.634 -179.123 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.743 ' HB2' ' O ' ' A' ' 34' ' ' GLY . 9.3 m-85 -65.42 -39.23 91.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.68 0.276 . . . . 0.0 110.722 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.81 -61.28 7.38 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.401 -0.904 . . . . 0.0 112.123 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.507 ' O ' HG12 ' A' ' 44' ' ' ILE . 3.1 m -56.94 -52.89 63.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.68 0.276 . . . . 0.0 110.889 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.1 tp -52.44 -53.72 41.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.432 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.554 ' HB2' ' O ' ' A' ' 38' ' ' PHE . 1.1 tp -62.16 -34.71 76.92 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.835 0.35 . . . . 0.0 110.926 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.615 ' O ' ' HB2' ' A' ' 47' ' ' PHE . 2.5 mp -66.35 -50.73 62.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.59 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.507 HG12 ' O ' ' A' ' 40' ' ' THR . 43.0 mm -62.64 -37.04 77.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.871 0.367 . . . . 0.0 110.809 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.807 ' O ' HG22 ' A' ' 49' ' ' VAL . . . -64.92 -56.32 17.02 Favored Glycine 0 CA--C 1.519 0.316 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.609 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -65.85 -39.73 91.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.851 0.357 . . . . 0.0 111.219 -179.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.615 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 6.4 m-85 -69.72 -38.02 76.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.635 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.678 ' HG2' ' O ' ' A' ' 45' ' ' GLY . 4.6 ptm180 -68.0 -40.89 82.95 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 121.176 -0.21 . . . . 0.0 110.835 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.807 HG22 ' O ' ' A' ' 45' ' ' GLY . 1.8 m -71.43 -58.03 6.13 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.245 179.666 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.689 HG22 ' HA ' ' A' ' 55' ' ' PRO . 42.2 t -67.42 -35.82 74.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.244 0.545 . . . . 0.0 110.941 179.449 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.439 ' HA3' ' O ' ' A' ' 47' ' ' PHE . . . -67.95 -32.85 78.01 Favored Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.319 -0.855 . . . . 0.0 112.48 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -81.3 -59.92 2.46 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.71 0.29 . . . . 0.0 111.318 -179.307 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.751 ' O ' ' HD3' ' A' ' 55' ' ' PRO . 0.0 OUTLIER -162.12 -41.24 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.864 -0.335 . . . . 0.0 111.758 -179.572 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.558 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 51.9 mt -80.91 99.01 0.44 Allowed Pre-proline 0 C--N 1.329 -0.284 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -178.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.751 ' HD3' ' O ' ' A' ' 53' ' ' MET . 9.8 Cg_endo -88.96 -50.88 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 123.04 2.493 . . . . 0.0 112.292 179.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.664 ' O ' ' HB2' ' A' ' 57' ' ' GLN . 0.2 OUTLIER -154.32 54.16 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.163 179.023 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.664 ' HB2' ' O ' ' A' ' 56' ' ' ILE . 1.5 mm-40 82.6 -29.38 0.1 Allowed 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.56 -178.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -68.89 140.07 55.15 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.437 179.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.473 ' HB3' ' HB3' ' A' ' 62' ' ' PRO . 18.4 m120 -84.81 -46.98 10.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.829 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 61.63 90.67 0.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.292 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.579 ' HB1' ' HG3' ' A' ' 64' ' ' PRO . . . 57.47 58.25 7.48 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.758 179.426 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.473 ' HB3' ' HB3' ' A' ' 59' ' ' ASN . 60.2 Cg_endo -74.16 -25.73 13.43 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.466 2.111 . . . . 0.0 112.489 179.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.585 ' N ' ' HD2' ' A' ' 64' ' ' PRO . . . -67.71 -51.74 29.1 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 115.992 -0.549 . . . . 0.0 112.31 -179.359 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.585 ' HD2' ' N ' ' A' ' 63' ' ' ALA . 18.6 Cg_endo -58.53 82.33 0.05 OUTLIER 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.328 2.018 . . . . 0.0 112.503 -179.617 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -88.24 -55.42 3.75 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.591 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.583 ' O ' HG23 ' A' ' 66' ' ' ILE . 1.0 OUTLIER -166.97 89.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.433 179.717 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 29.0 p 36.83 -158.99 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.95 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.3 -157.75 18.3 Favored Glycine 0 C--N 1.333 0.38 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.57 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -176.02 -178.33 1.01 Allowed 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.826 0.346 . . . . 0.0 111.383 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.2 tt -173.35 57.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.964 0.412 . . . . 0.0 110.966 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -174.29 -51.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.944 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 12.3 m170 61.78 -175.47 0.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.973 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 34.0 m-70 -76.0 -36.36 59.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 60.39 31.15 20.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.948 0.404 . . . . 0.0 110.499 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.18 112.29 6.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.848 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 62.0 t-80 -158.25 142.32 15.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.769 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 6.3 m170 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.932 -179.968 . . . . . . . . 0 0 . 1 stop_ save_