data_2k6o_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 2k6o _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 ' 2' ' ' LEU . . . . . 0.429 ' CD1' ' CE2' ' A' ' 6' ' ' PHE . 0.3 OUTLIER . . . . . 0 CA--C 1.521 -0.14 0 CA-C-O 121.132 0.492 . . . . 0.0 109.924 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.58 -36.22 70.18 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 109.407 -1.477 . . . . 0.0 109.407 178.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -73.65 -28.25 61.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.184 0.516 . . . . 0.0 110.138 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -66.68 -50.1 63.98 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.707 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.429 ' CE2' ' CD1' ' A' ' 2' ' ' LEU . 9.9 m-85 -52.77 -43.65 65.98 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.542 -1.208 . . . . 0.0 109.887 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -65.99 -37.52 86.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.467 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -73.79 -48.7 29.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.593 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.2 t -63.47 -33.59 75.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.094 0.473 . . . . 0.0 110.306 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -50.12 -57.18 8.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.426 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -70.87 -28.96 64.96 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.66 -0.416 . . . . 0.0 111.653 -179.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.3 mtpp -56.65 -33.28 66.19 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.507 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.581 ' CG1' ' N ' ' A' ' 14' ' ' GLY . 0.6 OUTLIER -72.5 -51.2 29.98 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 C-N-CA 120.343 -0.543 . . . . 0.0 109.96 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.581 ' N ' ' CG1' ' A' ' 13' ' ' ILE . . . -45.99 -33.72 5.38 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.4 tmmt? -74.91 -50.64 16.15 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.891 -0.324 . . . . 0.0 111.241 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -79.76 -36.8 36.69 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.724 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.571 ' N ' ' O ' ' A' ' 13' ' ' ILE . 24.0 t80 -58.12 -38.62 76.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.227 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.5 tppt? -65.1 -49.21 70.86 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.05 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 42.4 mtp180 -62.99 -32.9 74.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.289 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 38.0 mt -68.01 -54.26 23.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.199 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 72.6 t -54.69 -36.75 37.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.205 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -70.12 -42.65 72.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.452 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 52.7 ttt180 -67.66 -49.01 65.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.78 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.3 mp -55.83 -38.35 51.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.239 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -55.06 -36.07 65.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.88 0.371 . . . . 0.0 110.036 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -74.15 -35.34 64.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.515 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -54.6 -53.87 48.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.65 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.2 mp -52.59 -31.07 34.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.634 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.1 ttt180 -69.58 -42.46 74.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.864 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -89.87 5.48 46.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.974 0.416 . . . . 0.0 110.384 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.0 tp . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.52 -179.755 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.522 -0.134 0 CA-C-O 121.123 0.487 . . . . 0.0 109.884 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.01 -35.93 71.35 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 109.38 -1.488 . . . . 0.0 109.38 178.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -73.8 -27.16 60.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.179 0.514 . . . . 0.0 110.181 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -67.56 -50.21 59.55 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.775 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -53.15 -37.72 62.09 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.539 -1.21 . . . . 0.0 110.34 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.668 HH11 ' CG ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -73.08 -32.96 65.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.577 179.914 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.1 tttt -71.32 -42.61 68.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.548 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.1 m -68.71 -40.66 79.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.644 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.4 mmmt -46.65 -56.07 6.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.742 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -70.7 -27.98 64.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.874 0.369 . . . . 0.0 110.996 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.442 ' O ' ' OE2' ' A' ' 16' ' ' GLU . 78.1 tttt -55.91 -31.59 63.01 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.592 -179.486 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.544 ' O ' ' N ' ' A' ' 17' ' ' PHE . 1.3 pp -73.89 -37.48 48.11 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 CA-C-O 120.968 0.413 . . . . 0.0 110.387 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.491 ' N ' HG13 ' A' ' 13' ' ' ILE . . . -53.0 -48.19 58.65 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -75.56 -49.28 19.09 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.579 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.529 ' N ' ' OE1' ' A' ' 16' ' ' GLU . 0.3 OUTLIER -63.2 -51.29 66.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.991 -179.631 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.544 ' N ' ' O ' ' A' ' 13' ' ' ILE . 56.5 t80 -50.21 -44.35 53.08 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.924 -0.31 . . . . 0.0 110.588 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -58.92 -49.04 79.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.386 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 21.3 mmt180 -64.24 -36.42 84.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.158 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 42.0 mt -61.43 -49.13 85.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.204 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 74.3 t -52.9 -46.62 52.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.422 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.43 ' O ' ' OE1' ' A' ' 22' ' ' GLN . 0.0 OUTLIER -69.9 -41.71 74.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.442 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.67 HH11 ' CG ' ' A' ' 23' ' ' ARG . 0.3 OUTLIER -61.27 -40.82 95.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.737 -179.898 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.487 ' O ' ' CD2' ' A' ' 28' ' ' LEU . 67.3 mt -60.36 -53.33 50.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.614 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.8 tptm -48.42 -36.61 15.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.244 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -74.42 -28.92 61.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.156 179.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.489 ' O ' ' N ' ' A' ' 31' ' ' LEU . 18.8 t80 -57.78 -53.59 56.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.899 -179.676 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.731 ' H ' ' CD2' ' A' ' 28' ' ' LEU . 1.6 mm? -50.36 -37.51 37.47 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.468 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -75.32 -28.68 59.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.533 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -99.36 3.01 45.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.044 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.489 ' N ' ' O ' ' A' ' 27' ' ' PHE . 4.8 mt . . . . . 0 C--N 1.331 -0.232 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.278 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.52 -0.186 0 CA-C-O 121.091 0.472 . . . . 0.0 109.867 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -55.72 -35.21 62.07 Favored Glycine 0 CA--C 1.521 0.466 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 178.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -72.91 -31.75 64.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.082 0.468 . . . . 0.0 109.93 179.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -67.42 -50.8 57.85 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-O 121.627 0.727 . . . . 0.0 109.783 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -56.98 -51.67 68.31 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.611 -1.177 . . . . 0.0 110.215 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -56.72 -35.25 68.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.45 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.2 tttt -67.38 -48.14 68.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.608 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.5 m -57.78 -37.15 73.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.342 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.72 -43.66 58.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.071 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -71.82 -35.09 69.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.997 0.427 . . . . 0.0 111.033 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.9 mmtm -56.55 -30.06 62.69 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.718 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.567 ' CG1' ' N ' ' A' ' 14' ' ' GLY . 0.3 OUTLIER -76.29 -51.31 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 C-N-CA 120.41 -0.516 . . . . 0.0 109.941 179.928 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.567 ' N ' ' CG1' ' A' ' 13' ' ' ILE . . . -44.98 -34.06 3.92 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.56 -50.29 14.28 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.859 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -71.63 -30.64 65.99 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.031 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.447 ' O ' ' CG1' ' A' ' 20' ' ' ILE . 2.7 t80 -68.7 -33.9 74.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.128 0.489 . . . . 0.0 109.71 179.491 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -65.34 -29.97 70.76 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.8 ttp180 -66.81 -43.92 82.53 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.047 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.505 HG13 ' N ' ' A' ' 21' ' ' VAL . 1.9 pt -58.92 -33.32 49.46 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.102 0 C-N-CA 120.486 -0.486 . . . . 0.0 110.455 -179.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.505 ' N ' HG13 ' A' ' 20' ' ' ILE . 91.8 t -60.77 -48.88 86.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.304 179.724 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -70.2 -43.07 71.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.797 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.4 ttp180 -59.15 -36.24 74.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.903 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 14.1 mt -55.66 -49.72 72.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.828 0.347 . . . . 0.0 110.185 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 64.5 mttt -49.29 -42.49 41.38 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.314 -0.403 . . . . 0.0 109.926 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.493 ' OD2' ' ND2' ' A' ' 30' ' ' ASN . 21.2 t70 -74.76 -34.53 62.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.551 179.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.558 ' O ' ' N ' ' A' ' 31' ' ' LEU . 56.2 t80 -52.8 -53.19 51.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.758 -179.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.4 mp -51.23 -39.87 57.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.482 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 73.0 mtt180 -77.24 -35.75 55.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.59 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.493 ' ND2' ' OD2' ' A' ' 26' ' ' ASP . 76.3 m-20 -91.39 4.26 52.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.684 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.558 ' N ' ' O ' ' A' ' 27' ' ' PHE . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.137 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.521 -0.142 0 CA-C-O 121.113 0.483 . . . . 0.0 109.972 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -55.55 -35.49 62.0 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 178.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -72.88 -32.16 65.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.079 0.466 . . . . 0.0 109.951 179.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -66.51 -50.79 62.08 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.701 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -59.06 -44.01 91.78 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.592 -1.186 . . . . 0.0 110.39 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -65.86 -39.16 90.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.874 0.369 . . . . 0.0 110.201 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 41.6 tttm -73.91 -43.18 59.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.251 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.5 t -58.05 -35.42 71.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.651 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt -46.62 -57.38 4.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.312 -179.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -71.01 -29.64 65.65 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.733 0.272 . . . . 0.0 111.733 -179.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.614 ' HZ1' ' CB ' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -56.78 -30.78 63.98 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.882 -179.375 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.571 ' O ' ' N ' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -76.08 -50.33 23.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.278 -179.85 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.57 ' N ' ' CG1' ' A' ' 13' ' ' ILE . . . -44.24 -42.08 6.73 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.642 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -75.36 -49.92 17.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.942 0.401 . . . . 0.0 110.509 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -65.34 -51.26 61.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.575 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.571 ' N ' ' O ' ' A' ' 13' ' ' ILE . 1.7 t80 -48.92 -38.44 22.82 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.5 tttm -58.59 -41.77 86.56 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.933 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.639 HH11 ' CG ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -65.62 -43.39 89.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.343 179.731 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.7 mp -54.51 -36.84 36.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.3 t -63.8 -40.68 89.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.095 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -68.01 -51.12 50.69 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.084 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.659 HH11 ' CG ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -62.63 -33.98 76.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.106 179.607 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -54.9 -54.65 21.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.932 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.51 -33.56 14.92 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.097 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.535 ' O ' ' ND2' ' A' ' 30' ' ' ASN . 12.8 t70 -74.0 -37.79 64.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.367 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -52.94 -42.48 65.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.463 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.4 mp -61.98 -51.04 69.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.806 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.65 ' HG3' HH11 ' A' ' 29' ' ' ARG . 0.4 OUTLIER -59.85 -22.04 61.76 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.777 -179.769 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.535 ' ND2' ' O ' ' A' ' 26' ' ' ASP . 1.2 m-80 -82.44 -27.13 32.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.58 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.9 mp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.718 -179.856 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.452 ' CD1' ' N ' ' A' ' 1' ' ' LEU . 10.1 mp . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.429 ' CD1' ' CE2' ' A' ' 6' ' ' PHE . 0.3 OUTLIER -74.16 -43.93 55.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.132 0.492 . . . . 0.0 109.924 179.917 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.58 -36.22 70.18 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 109.407 -1.477 . . . . 0.0 109.407 178.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -73.65 -28.25 61.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.184 0.516 . . . . 0.0 110.138 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -66.68 -50.1 63.98 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.707 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.429 ' CE2' ' CD1' ' A' ' 2' ' ' LEU . 9.9 m-85 -52.77 -43.65 65.98 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.542 -1.208 . . . . 0.0 109.887 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -65.99 -37.52 86.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.467 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -73.79 -48.7 29.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.593 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.2 t -63.47 -33.59 75.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.094 0.473 . . . . 0.0 110.306 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -50.12 -57.18 8.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.426 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -70.87 -28.96 64.96 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.66 -0.416 . . . . 0.0 111.653 -179.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.3 mtpp -56.65 -33.28 66.19 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.507 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.581 ' CG1' ' N ' ' A' ' 14' ' ' GLY . 0.6 OUTLIER -72.5 -51.2 29.98 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 C-N-CA 120.343 -0.543 . . . . 0.0 109.96 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.581 ' N ' ' CG1' ' A' ' 13' ' ' ILE . . . -45.99 -33.72 5.38 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.4 tmmt? -74.91 -50.64 16.15 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.891 -0.324 . . . . 0.0 111.241 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -79.76 -36.8 36.69 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.724 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.571 ' N ' ' O ' ' A' ' 13' ' ' ILE . 24.0 t80 -58.12 -38.62 76.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.227 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.5 tppt? -65.1 -49.21 70.86 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.05 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 42.4 mtp180 -62.99 -32.9 74.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.289 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 38.0 mt -68.01 -54.26 23.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.199 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 72.6 t -54.69 -36.75 37.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.205 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -70.12 -42.65 72.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.452 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 52.7 ttt180 -67.66 -49.01 65.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.78 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.3 mp -55.83 -38.35 51.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.239 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -55.06 -36.07 65.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.88 0.371 . . . . 0.0 110.036 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -74.15 -35.34 64.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.515 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -54.6 -53.87 48.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.65 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.2 mp -52.59 -31.07 34.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.634 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.1 ttt180 -69.58 -42.46 74.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.864 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -89.87 5.48 46.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.974 0.416 . . . . 0.0 110.384 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.0 tp -85.02 -61.2 1.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.52 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.404 ' O ' ' CG2' ' A' ' 32' ' ' VAL . 2.1 m -63.04 131.05 94.59 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.307 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -72.27 -33.01 9.7 Favored 'Trans proline' 0 C--N 1.311 -1.418 0 C-N-CA 121.897 1.731 . . . . 0.0 110.909 179.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.672 HH11 ' HG2' ' A' ' 34' ' ' ARG . 1.9 mtt-85 -140.9 119.77 12.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.513 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.04 -164.65 0.14 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.233 179.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -70.91 134.59 47.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.447 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.3 m . . . . . 0 C--O 1.219 -0.518 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.615 -179.88 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 27.3 mt . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.07 -43.96 61.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.123 0.487 . . . . 0.0 109.884 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.01 -35.93 71.35 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 109.38 -1.488 . . . . 0.0 109.38 178.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -73.8 -27.16 60.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.179 0.514 . . . . 0.0 110.181 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -67.56 -50.21 59.55 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.775 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -53.15 -37.72 62.09 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.539 -1.21 . . . . 0.0 110.34 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.668 HH11 ' CG ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -73.08 -32.96 65.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.577 179.914 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.1 tttt -71.32 -42.61 68.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.548 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.1 m -68.71 -40.66 79.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.644 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.4 mmmt -46.65 -56.07 6.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.742 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -70.7 -27.98 64.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.874 0.369 . . . . 0.0 110.996 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.442 ' O ' ' OE2' ' A' ' 16' ' ' GLU . 78.1 tttt -55.91 -31.59 63.01 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.592 -179.486 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.544 ' O ' ' N ' ' A' ' 17' ' ' PHE . 1.3 pp -73.89 -37.48 48.11 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 CA-C-O 120.968 0.413 . . . . 0.0 110.387 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.491 ' N ' HG13 ' A' ' 13' ' ' ILE . . . -53.0 -48.19 58.65 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -75.56 -49.28 19.09 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.579 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.529 ' N ' ' OE1' ' A' ' 16' ' ' GLU . 0.3 OUTLIER -63.2 -51.29 66.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.991 -179.631 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.544 ' N ' ' O ' ' A' ' 13' ' ' ILE . 56.5 t80 -50.21 -44.35 53.08 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.924 -0.31 . . . . 0.0 110.588 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -58.92 -49.04 79.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.386 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 21.3 mmt180 -64.24 -36.42 84.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.158 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 42.0 mt -61.43 -49.13 85.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.204 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 74.3 t -52.9 -46.62 52.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.422 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.43 ' O ' ' OE1' ' A' ' 22' ' ' GLN . 0.0 OUTLIER -69.9 -41.71 74.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.442 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.67 ' CG ' HH11 ' A' ' 23' ' ' ARG . 0.3 OUTLIER -61.27 -40.82 95.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.737 -179.898 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.487 ' O ' ' CD2' ' A' ' 28' ' ' LEU . 67.3 mt -60.36 -53.33 50.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.614 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.8 tptm -48.42 -36.61 15.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.244 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -74.42 -28.92 61.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.156 179.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.489 ' O ' ' N ' ' A' ' 31' ' ' LEU . 18.8 t80 -57.78 -53.59 56.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.899 -179.676 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.731 ' CD2' ' H ' ' A' ' 28' ' ' LEU . 1.6 mm? -50.36 -37.51 37.47 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.468 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -75.32 -28.68 59.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.533 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -99.36 3.01 45.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.044 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.489 ' N ' ' O ' ' A' ' 27' ' ' PHE . 4.8 mt -67.51 -11.15 57.3 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.278 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.8 m -99.47 109.66 55.8 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.531 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.519 ' C ' ' H ' ' A' ' 35' ' ' THR . 94.5 Cg_endo -81.24 -31.89 1.12 Allowed 'Trans proline' 0 C--N 1.312 -1.344 0 C-N-CA 122.405 2.07 . . . . 0.0 112.043 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 46.2 mtp180 -48.85 -11.84 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.695 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.519 ' H ' ' C ' ' A' ' 33' ' ' PRO . 0.6 OUTLIER -76.66 -151.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.553 -179.918 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.45 ' H ' ' CG2' ' A' ' 35' ' ' THR . 27.5 mt-10 -63.09 145.9 54.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.71 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 47.2 t . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.051 -0.976 . . . . 0.0 110.517 -179.981 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.496 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.78 -44.41 61.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.091 0.472 . . . . 0.0 109.867 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -55.72 -35.21 62.07 Favored Glycine 0 CA--C 1.521 0.466 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 178.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -72.91 -31.75 64.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.082 0.468 . . . . 0.0 109.93 179.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -67.42 -50.8 57.85 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-O 121.627 0.727 . . . . 0.0 109.783 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -56.98 -51.67 68.31 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.611 -1.177 . . . . 0.0 110.215 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -56.72 -35.25 68.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.45 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.2 tttt -67.38 -48.14 68.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.608 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.5 m -57.78 -37.15 73.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.342 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.72 -43.66 58.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.071 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -71.82 -35.09 69.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.997 0.427 . . . . 0.0 111.033 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.9 mmtm -56.55 -30.06 62.69 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.718 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.567 ' CG1' ' N ' ' A' ' 14' ' ' GLY . 0.3 OUTLIER -76.29 -51.31 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 C-N-CA 120.41 -0.516 . . . . 0.0 109.941 179.928 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.567 ' N ' ' CG1' ' A' ' 13' ' ' ILE . . . -44.98 -34.06 3.92 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.56 -50.29 14.28 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.859 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -71.63 -30.64 65.99 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.031 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.447 ' O ' ' CG1' ' A' ' 20' ' ' ILE . 2.7 t80 -68.7 -33.9 74.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.128 0.489 . . . . 0.0 109.71 179.491 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -65.34 -29.97 70.76 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.8 ttp180 -66.81 -43.92 82.53 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.047 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.505 HG13 ' N ' ' A' ' 21' ' ' VAL . 1.9 pt -58.92 -33.32 49.46 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.102 0 C-N-CA 120.486 -0.486 . . . . 0.0 110.455 -179.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.505 ' N ' HG13 ' A' ' 20' ' ' ILE . 91.8 t -60.77 -48.88 86.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.304 179.724 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -70.2 -43.07 71.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.797 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.4 ttp180 -59.15 -36.24 74.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.903 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 14.1 mt -55.66 -49.72 72.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.828 0.347 . . . . 0.0 110.185 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 64.5 mttt -49.29 -42.49 41.38 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.314 -0.403 . . . . 0.0 109.926 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.493 ' OD2' ' ND2' ' A' ' 30' ' ' ASN . 21.2 t70 -74.76 -34.53 62.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.551 179.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.558 ' O ' ' N ' ' A' ' 31' ' ' LEU . 56.2 t80 -52.8 -53.19 51.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.758 -179.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.4 mp -51.23 -39.87 57.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.482 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 73.0 mtt180 -77.24 -35.75 55.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.59 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.493 ' ND2' ' OD2' ' A' ' 26' ' ' ASP . 76.3 m-20 -91.39 4.26 52.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.684 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.558 ' N ' ' O ' ' A' ' 27' ' ' PHE . 0.8 OUTLIER -67.48 -45.54 75.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.137 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 18.6 m -54.06 145.61 33.33 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.436 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.454 ' HG2' HH11 ' A' ' 34' ' ' ARG . 34.1 Cg_endo -65.67 -27.73 52.7 Favored 'Trans proline' 0 C--N 1.308 -1.582 0 C-N-CA 122.384 2.056 . . . . 0.0 110.497 179.454 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.454 HH11 ' HG2' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -171.41 136.24 0.99 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.592 179.033 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.494 ' OG1' ' N ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -78.5 -166.29 0.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.485 -179.657 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.494 ' N ' ' OG1' ' A' ' 35' ' ' THR . 36.9 mt-10 -81.28 109.55 15.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.533 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 56.5 p . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.619 179.939 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.53 ' N ' ' CD2' ' A' ' 1' ' ' LEU . 3.8 mm? . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.34 -44.6 51.72 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.113 0.483 . . . . 0.0 109.972 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -55.55 -35.49 62.0 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 178.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -72.88 -32.16 65.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.079 0.466 . . . . 0.0 109.951 179.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -66.51 -50.79 62.08 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.701 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -59.06 -44.01 91.78 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.592 -1.186 . . . . 0.0 110.39 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -65.86 -39.16 90.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.874 0.369 . . . . 0.0 110.201 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 41.6 tttm -73.91 -43.18 59.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.251 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.5 t -58.05 -35.42 71.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.651 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt -46.62 -57.38 4.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.312 -179.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -71.01 -29.64 65.65 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.733 0.272 . . . . 0.0 111.733 -179.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.614 ' HZ1' ' CB ' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -56.78 -30.78 63.98 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.882 -179.375 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.571 ' O ' ' N ' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -76.08 -50.33 23.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.278 -179.85 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.57 ' N ' ' CG1' ' A' ' 13' ' ' ILE . . . -44.24 -42.08 6.73 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.642 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -75.36 -49.92 17.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.942 0.401 . . . . 0.0 110.509 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -65.34 -51.26 61.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.575 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.571 ' N ' ' O ' ' A' ' 13' ' ' ILE . 1.7 t80 -48.92 -38.44 22.82 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.5 tttm -58.59 -41.77 86.56 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.933 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.639 HH11 ' CG ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -65.62 -43.39 89.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.343 179.731 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.7 mp -54.51 -36.84 36.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.3 t -63.8 -40.68 89.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.095 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -68.01 -51.12 50.69 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.084 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.659 HH11 ' CG ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -62.63 -33.98 76.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.106 179.607 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -54.9 -54.65 21.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.932 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.51 -33.56 14.92 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.097 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.535 ' O ' ' ND2' ' A' ' 30' ' ' ASN . 12.8 t70 -74.0 -37.79 64.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.367 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -52.94 -42.48 65.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.463 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.4 mp -61.98 -51.04 69.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.806 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.65 ' HG3' HH11 ' A' ' 29' ' ' ARG . 0.4 OUTLIER -59.85 -22.04 61.76 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.777 -179.769 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.535 ' ND2' ' O ' ' A' ' 26' ' ' ASP . 1.2 m-80 -82.44 -27.13 32.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.58 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.9 mp -71.62 -45.58 61.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.718 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.9 m -102.18 107.81 54.44 Favored Pre-proline 0 CA--C 1.532 0.276 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.456 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -82.31 -34.44 0.43 Allowed 'Trans proline' 0 C--N 1.312 -1.373 0 C-N-CA 122.448 2.099 . . . . 0.0 112.214 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -43.81 -31.75 0.9 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.65 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.67 -169.68 2.76 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.133 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -50.6 158.77 0.59 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.537 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 53.1 p . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 117.926 -1.035 . . . . 0.0 110.567 -179.963 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.585 HD13 ' O ' ' A' ' 2' ' ' LEU . 0.3 OUTLIER . . . . . 0 CA--C 1.521 -0.14 0 CA-C-O 121.132 0.492 . . . . 0.0 109.924 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.58 -36.22 70.18 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 109.407 -1.477 . . . . 0.0 109.407 178.593 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -73.65 -28.25 61.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.184 0.516 . . . . 0.0 110.138 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -66.68 -50.1 63.98 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.707 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.504 ' CE2' HD12 ' A' ' 2' ' ' LEU . 9.9 m-85 -52.77 -43.65 65.98 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.542 -1.208 . . . . 0.0 109.887 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -65.99 -37.52 86.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.467 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -73.79 -48.7 29.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.593 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.544 ' O ' HG23 ' A' ' 13' ' ' ILE . 41.2 t -63.47 -33.59 75.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.094 0.473 . . . . 0.0 110.306 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -50.12 -57.18 8.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.426 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -70.87 -28.96 64.96 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.66 -0.416 . . . . 0.0 111.653 -179.015 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.3 mtpp -56.65 -33.28 66.19 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.507 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.581 ' CG1' ' N ' ' A' ' 14' ' ' GLY . 0.6 OUTLIER -72.5 -51.2 29.98 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 C-N-CA 120.343 -0.543 . . . . 0.0 109.96 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.581 ' N ' ' CG1' ' A' ' 13' ' ' ILE . . . -45.99 -33.72 5.38 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.4 tmmt? -74.91 -50.64 16.15 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.891 -0.324 . . . . 0.0 111.241 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -79.76 -36.8 36.69 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.724 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.537 ' N ' ' O ' ' A' ' 13' ' ' ILE . 24.0 t80 -58.12 -38.62 76.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.227 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.5 tppt? -65.1 -49.21 70.86 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.05 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 42.4 mtp180 -62.99 -32.9 74.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.289 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 38.0 mt -68.01 -54.26 23.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.199 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 72.6 t -54.69 -36.75 37.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.205 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -70.12 -42.65 72.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.452 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 52.7 ttt180 -67.66 -49.01 65.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.78 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.3 mp -55.83 -38.35 51.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.239 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -55.06 -36.07 65.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.88 0.371 . . . . 0.0 110.036 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -74.15 -35.34 64.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.515 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.747 ' CE2' HD13 ' A' ' 31' ' ' LEU . 52.4 t80 -54.6 -53.87 48.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.65 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.531 HD12 ' H ' ' A' ' 28' ' ' LEU . 7.2 mp -52.59 -31.07 34.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.634 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.1 ttt180 -69.58 -42.46 74.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.864 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -89.87 5.48 46.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.974 0.416 . . . . 0.0 110.384 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.747 HD13 ' CE2' ' A' ' 27' ' ' PHE . 12.0 tp . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.52 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.609 HD13 ' O ' ' A' ' 2' ' ' LEU . 0.3 OUTLIER . . . . . 0 CA--C 1.522 -0.134 0 CA-C-O 121.123 0.487 . . . . 0.0 109.884 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.01 -35.93 71.35 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 109.38 -1.488 . . . . 0.0 109.38 178.691 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -73.8 -27.16 60.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.179 0.514 . . . . 0.0 110.181 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.401 ' HB3' ' O ' ' A' ' 2' ' ' LEU . 67.4 t80 -67.56 -50.21 59.55 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.775 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.422 ' CE2' HD12 ' A' ' 2' ' ' LEU . 9.0 m-85 -53.15 -37.72 62.09 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.539 -1.21 . . . . 0.0 110.34 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.681 ' CG ' HH11 ' A' ' 7' ' ' ARG . 0.0 OUTLIER -73.08 -32.96 65.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.577 179.914 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.1 tttt -71.32 -42.61 68.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.548 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.417 ' O ' HG23 ' A' ' 13' ' ' ILE . 58.1 m -68.71 -40.66 79.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.644 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.4 mmmt -46.65 -56.07 6.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.742 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -70.7 -27.98 64.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.874 0.369 . . . . 0.0 110.996 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.442 ' O ' ' OE2' ' A' ' 16' ' ' GLU . 78.1 tttt -55.91 -31.59 63.01 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.592 -179.486 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.544 ' O ' ' N ' ' A' ' 17' ' ' PHE . 1.3 pp -73.89 -37.48 48.11 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 CA-C-O 120.968 0.413 . . . . 0.0 110.387 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.485 ' N ' HG13 ' A' ' 13' ' ' ILE . . . -53.0 -48.19 58.65 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -75.56 -49.28 19.09 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.579 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.529 ' OE1' ' N ' ' A' ' 16' ' ' GLU . 0.3 OUTLIER -63.2 -51.29 66.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.991 -179.631 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.544 ' N ' ' O ' ' A' ' 13' ' ' ILE . 56.5 t80 -50.21 -44.35 53.08 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.924 -0.31 . . . . 0.0 110.588 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -58.92 -49.04 79.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.386 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 21.3 mmt180 -64.24 -36.42 84.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.158 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 42.0 mt -61.43 -49.13 85.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.204 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 74.3 t -52.9 -46.62 52.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.422 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.43 ' O ' ' OE1' ' A' ' 22' ' ' GLN . 0.0 OUTLIER -69.9 -41.71 74.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.442 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.682 ' CG ' HH11 ' A' ' 23' ' ' ARG . 0.3 OUTLIER -61.27 -40.82 95.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.737 -179.898 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.566 ' O ' HD22 ' A' ' 28' ' ' LEU . 67.3 mt -60.36 -53.33 50.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.614 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.8 tptm -48.42 -36.61 15.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.244 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -74.42 -28.92 61.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.156 179.372 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.489 ' O ' ' N ' ' A' ' 31' ' ' LEU . 18.8 t80 -57.78 -53.59 56.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.899 -179.676 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 1.054 HD22 ' H ' ' A' ' 28' ' ' LEU . 1.6 mm? -50.36 -37.51 37.47 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.468 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -75.32 -28.68 59.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.533 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -99.36 3.01 45.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.044 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.489 ' N ' ' O ' ' A' ' 27' ' ' PHE . 4.8 mt . . . . . 0 C--N 1.331 -0.232 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.278 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.597 HD13 ' O ' ' A' ' 2' ' ' LEU . 0.3 OUTLIER . . . . . 0 CA--C 1.52 -0.186 0 CA-C-O 121.091 0.472 . . . . 0.0 109.867 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -55.72 -35.21 62.07 Favored Glycine 0 CA--C 1.521 0.466 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 178.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -72.91 -31.75 64.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.082 0.468 . . . . 0.0 109.93 179.14 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -67.42 -50.8 57.85 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-O 121.627 0.727 . . . . 0.0 109.783 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -56.98 -51.67 68.31 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.611 -1.177 . . . . 0.0 110.215 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -56.72 -35.25 68.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.45 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.2 tttt -67.38 -48.14 68.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.608 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.418 ' O ' HG23 ' A' ' 13' ' ' ILE . 4.5 m -57.78 -37.15 73.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.342 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.72 -43.66 58.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.071 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -71.82 -35.09 69.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.997 0.427 . . . . 0.0 111.033 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.9 mmtm -56.55 -30.06 62.69 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.718 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.567 ' CG1' ' N ' ' A' ' 14' ' ' GLY . 0.3 OUTLIER -76.29 -51.31 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 C-N-CA 120.41 -0.516 . . . . 0.0 109.941 179.928 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.567 ' N ' ' CG1' ' A' ' 13' ' ' ILE . . . -44.98 -34.06 3.92 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.56 -50.29 14.28 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.859 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -71.63 -30.64 65.99 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.031 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.447 ' O ' ' CG1' ' A' ' 20' ' ' ILE . 2.7 t80 -68.7 -33.9 74.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.128 0.489 . . . . 0.0 109.71 179.491 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -65.34 -29.97 70.76 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.8 ttp180 -66.81 -43.92 82.53 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.047 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.514 HG13 ' N ' ' A' ' 21' ' ' VAL . 1.9 pt -58.92 -33.32 49.46 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.102 0 C-N-CA 120.486 -0.486 . . . . 0.0 110.455 -179.68 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.514 ' N ' HG13 ' A' ' 20' ' ' ILE . 91.8 t -60.77 -48.88 86.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.304 179.724 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -70.2 -43.07 71.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.797 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.4 ttp180 -59.15 -36.24 74.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.903 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 14.1 mt -55.66 -49.72 72.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.828 0.347 . . . . 0.0 110.185 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 64.5 mttt -49.29 -42.49 41.38 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.314 -0.403 . . . . 0.0 109.926 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.493 ' OD2' ' ND2' ' A' ' 30' ' ' ASN . 21.2 t70 -74.76 -34.53 62.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.551 179.657 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.558 ' O ' ' N ' ' A' ' 31' ' ' LEU . 56.2 t80 -52.8 -53.19 51.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.758 -179.716 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.643 ' HA ' HD12 ' A' ' 31' ' ' LEU . 7.4 mp -51.23 -39.87 57.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.482 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 73.0 mtt180 -77.24 -35.75 55.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.59 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.493 ' ND2' ' OD2' ' A' ' 26' ' ' ASP . 76.3 m-20 -91.39 4.26 52.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.684 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.643 HD12 ' HA ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.137 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.585 HD13 ' O ' ' A' ' 2' ' ' LEU . 0.2 OUTLIER . . . . . 0 CA--C 1.521 -0.142 0 CA-C-O 121.113 0.483 . . . . 0.0 109.972 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -55.55 -35.49 62.0 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 178.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -72.88 -32.16 65.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.079 0.466 . . . . 0.0 109.951 179.145 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -66.51 -50.79 62.08 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.701 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -59.06 -44.01 91.78 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.592 -1.186 . . . . 0.0 110.39 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -65.86 -39.16 90.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.874 0.369 . . . . 0.0 110.201 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 41.6 tttm -73.91 -43.18 59.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.251 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.538 ' O ' HG23 ' A' ' 13' ' ' ILE . 27.5 t -58.05 -35.42 71.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.651 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt -46.62 -57.38 4.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.312 -179.467 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.411 ' HG2' ' H ' ' A' ' 11' ' ' GLU . 9.1 pt-20 -71.01 -29.64 65.65 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.733 0.272 . . . . 0.0 111.733 -179.264 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.451 ' HB3' ' HZ3' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -56.78 -30.78 63.98 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.882 -179.375 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.571 ' O ' ' N ' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -76.08 -50.33 23.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.278 -179.85 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.57 ' N ' ' CG1' ' A' ' 13' ' ' ILE . . . -44.24 -42.08 6.73 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.642 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -75.36 -49.92 17.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.942 0.401 . . . . 0.0 110.509 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -65.34 -51.26 61.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.575 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.571 ' N ' ' O ' ' A' ' 13' ' ' ILE . 1.7 t80 -48.92 -38.44 22.82 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.5 tttm -58.59 -41.77 86.56 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.933 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.647 ' CG ' HH11 ' A' ' 19' ' ' ARG . 0.0 OUTLIER -65.62 -43.39 89.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.343 179.731 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.421 HD12 ' N ' ' A' ' 20' ' ' ILE . 1.7 mp -54.51 -36.84 36.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 179.731 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.3 t -63.8 -40.68 89.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.095 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -68.01 -51.12 50.69 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.084 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.671 ' CG ' HH11 ' A' ' 23' ' ' ARG . 0.0 OUTLIER -62.63 -33.98 76.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.106 179.607 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.44 HG22 ' N ' ' A' ' 25' ' ' LYS . 0.7 OUTLIER -54.9 -54.65 21.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.932 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.44 ' N ' HG22 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -49.51 -33.56 14.92 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.097 179.881 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -74.0 -37.79 64.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.367 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.55 ' CZ ' HD11 ' A' ' 31' ' ' LEU . 72.0 t80 -52.94 -42.48 65.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.463 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.545 ' N ' HD12 ' A' ' 28' ' ' LEU . 7.4 mp -61.98 -51.04 69.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.806 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.661 HH11 ' HG3' ' A' ' 29' ' ' ARG . 0.4 OUTLIER -59.85 -22.04 61.76 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.777 -179.769 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -82.44 -27.13 32.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.58 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.55 HD11 ' CZ ' ' A' ' 27' ' ' PHE . 5.9 mp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.718 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.553 HD12 ' N ' ' A' ' 1' ' ' LEU . 10.1 mp . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.585 HD13 ' O ' ' A' ' 2' ' ' LEU . 0.3 OUTLIER -74.16 -43.93 55.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.132 0.492 . . . . 0.0 109.924 179.917 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.58 -36.22 70.18 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 109.407 -1.477 . . . . 0.0 109.407 178.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -73.65 -28.25 61.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.184 0.516 . . . . 0.0 110.138 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -66.68 -50.1 63.98 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.707 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.504 ' CE2' HD12 ' A' ' 2' ' ' LEU . 9.9 m-85 -52.77 -43.65 65.98 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.542 -1.208 . . . . 0.0 109.887 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -65.99 -37.52 86.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.467 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -73.79 -48.7 29.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.593 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.544 ' O ' HG23 ' A' ' 13' ' ' ILE . 41.2 t -63.47 -33.59 75.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.094 0.473 . . . . 0.0 110.306 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -50.12 -57.18 8.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.426 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -70.87 -28.96 64.96 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.66 -0.416 . . . . 0.0 111.653 -179.015 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.3 mtpp -56.65 -33.28 66.19 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.507 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.581 ' CG1' ' N ' ' A' ' 14' ' ' GLY . 0.6 OUTLIER -72.5 -51.2 29.98 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 C-N-CA 120.343 -0.543 . . . . 0.0 109.96 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.581 ' N ' ' CG1' ' A' ' 13' ' ' ILE . . . -45.99 -33.72 5.38 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.4 tmmt? -74.91 -50.64 16.15 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.891 -0.324 . . . . 0.0 111.241 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -79.76 -36.8 36.69 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.724 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.537 ' N ' ' O ' ' A' ' 13' ' ' ILE . 24.0 t80 -58.12 -38.62 76.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.227 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.5 tppt? -65.1 -49.21 70.86 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.05 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 42.4 mtp180 -62.99 -32.9 74.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.289 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 38.0 mt -68.01 -54.26 23.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.199 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 72.6 t -54.69 -36.75 37.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.205 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -70.12 -42.65 72.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.452 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 52.7 ttt180 -67.66 -49.01 65.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.78 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.3 mp -55.83 -38.35 51.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.239 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -55.06 -36.07 65.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.88 0.371 . . . . 0.0 110.036 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -74.15 -35.34 64.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.515 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.747 ' CE2' HD13 ' A' ' 31' ' ' LEU . 52.4 t80 -54.6 -53.87 48.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.65 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.531 HD12 ' H ' ' A' ' 28' ' ' LEU . 7.2 mp -52.59 -31.07 34.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.634 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.1 ttt180 -69.58 -42.46 74.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.864 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -89.87 5.48 46.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.974 0.416 . . . . 0.0 110.384 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.747 HD13 ' CE2' ' A' ' 27' ' ' PHE . 12.0 tp -85.02 -61.2 1.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.52 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.426 ' O ' HG23 ' A' ' 32' ' ' VAL . 2.1 m -63.04 131.05 94.59 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.307 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -72.27 -33.01 9.7 Favored 'Trans proline' 0 C--N 1.311 -1.418 0 C-N-CA 121.897 1.731 . . . . 0.0 110.909 179.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.71 HH11 ' HG2' ' A' ' 34' ' ' ARG . 1.9 mtt-85 -140.9 119.77 12.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.513 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.452 ' H ' HG23 ' A' ' 35' ' ' THR . 0.2 OUTLIER -72.04 -164.65 0.14 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.233 179.664 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -70.91 134.59 47.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.447 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.3 m . . . . . 0 C--O 1.219 -0.518 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.615 -179.88 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 27.3 mt . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.609 HD13 ' O ' ' A' ' 2' ' ' LEU . 0.3 OUTLIER -73.07 -43.96 61.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.123 0.487 . . . . 0.0 109.884 179.804 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.01 -35.93 71.35 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 109.38 -1.488 . . . . 0.0 109.38 178.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -73.8 -27.16 60.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.179 0.514 . . . . 0.0 110.181 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.401 ' HB3' ' O ' ' A' ' 2' ' ' LEU . 67.4 t80 -67.56 -50.21 59.55 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.775 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.422 ' CE2' HD12 ' A' ' 2' ' ' LEU . 9.0 m-85 -53.15 -37.72 62.09 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.539 -1.21 . . . . 0.0 110.34 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.681 ' CG ' HH11 ' A' ' 7' ' ' ARG . 0.0 OUTLIER -73.08 -32.96 65.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.577 179.914 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.1 tttt -71.32 -42.61 68.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.548 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.417 ' O ' HG23 ' A' ' 13' ' ' ILE . 58.1 m -68.71 -40.66 79.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.644 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.4 mmmt -46.65 -56.07 6.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.742 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -70.7 -27.98 64.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.874 0.369 . . . . 0.0 110.996 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.442 ' O ' ' OE2' ' A' ' 16' ' ' GLU . 78.1 tttt -55.91 -31.59 63.01 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.592 -179.486 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.544 ' O ' ' N ' ' A' ' 17' ' ' PHE . 1.3 pp -73.89 -37.48 48.11 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 CA-C-O 120.968 0.413 . . . . 0.0 110.387 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.485 ' N ' HG13 ' A' ' 13' ' ' ILE . . . -53.0 -48.19 58.65 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -75.56 -49.28 19.09 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.579 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.529 ' OE1' ' N ' ' A' ' 16' ' ' GLU . 0.3 OUTLIER -63.2 -51.29 66.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.991 -179.631 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.544 ' N ' ' O ' ' A' ' 13' ' ' ILE . 56.5 t80 -50.21 -44.35 53.08 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.924 -0.31 . . . . 0.0 110.588 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -58.92 -49.04 79.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.386 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 21.3 mmt180 -64.24 -36.42 84.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.158 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 42.0 mt -61.43 -49.13 85.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.204 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 74.3 t -52.9 -46.62 52.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.422 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.43 ' O ' ' OE1' ' A' ' 22' ' ' GLN . 0.0 OUTLIER -69.9 -41.71 74.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.442 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.682 ' CG ' HH11 ' A' ' 23' ' ' ARG . 0.3 OUTLIER -61.27 -40.82 95.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.737 -179.898 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.566 ' O ' HD22 ' A' ' 28' ' ' LEU . 67.3 mt -60.36 -53.33 50.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.614 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.8 tptm -48.42 -36.61 15.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.244 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -74.42 -28.92 61.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.156 179.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.489 ' O ' ' N ' ' A' ' 31' ' ' LEU . 18.8 t80 -57.78 -53.59 56.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.899 -179.676 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 1.054 HD22 ' H ' ' A' ' 28' ' ' LEU . 1.6 mm? -50.36 -37.51 37.47 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.468 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -75.32 -28.68 59.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.533 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -99.36 3.01 45.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.044 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.489 ' N ' ' O ' ' A' ' 27' ' ' PHE . 4.8 mt -67.51 -11.15 57.3 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.278 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.8 m -99.47 109.66 55.8 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.531 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.48 ' C ' ' H ' ' A' ' 35' ' ' THR . 94.5 Cg_endo -81.24 -31.89 1.12 Allowed 'Trans proline' 0 C--N 1.312 -1.344 0 C-N-CA 122.405 2.07 . . . . 0.0 112.043 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 46.2 mtp180 -48.85 -11.84 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.695 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.613 HG22 ' H ' ' A' ' 36' ' ' GLU . 0.6 OUTLIER -76.66 -151.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.553 -179.918 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.613 ' H ' HG22 ' A' ' 35' ' ' THR . 27.5 mt-10 -63.09 145.9 54.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.71 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 47.2 t . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.051 -0.976 . . . . 0.0 110.517 -179.981 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.494 HD23 ' H1 ' ' A' ' 1' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.496 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.597 HD13 ' O ' ' A' ' 2' ' ' LEU . 0.3 OUTLIER -72.78 -44.41 61.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.091 0.472 . . . . 0.0 109.867 179.86 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -55.72 -35.21 62.07 Favored Glycine 0 CA--C 1.521 0.466 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 178.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -72.91 -31.75 64.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.082 0.468 . . . . 0.0 109.93 179.14 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -67.42 -50.8 57.85 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-O 121.627 0.727 . . . . 0.0 109.783 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -56.98 -51.67 68.31 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.611 -1.177 . . . . 0.0 110.215 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -56.72 -35.25 68.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.45 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.2 tttt -67.38 -48.14 68.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.608 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.418 ' O ' HG23 ' A' ' 13' ' ' ILE . 4.5 m -57.78 -37.15 73.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.342 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.72 -43.66 58.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.071 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -71.82 -35.09 69.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.997 0.427 . . . . 0.0 111.033 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.9 mmtm -56.55 -30.06 62.69 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.718 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.567 ' CG1' ' N ' ' A' ' 14' ' ' GLY . 0.3 OUTLIER -76.29 -51.31 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 C-N-CA 120.41 -0.516 . . . . 0.0 109.941 179.928 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.567 ' N ' ' CG1' ' A' ' 13' ' ' ILE . . . -44.98 -34.06 3.92 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.56 -50.29 14.28 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.859 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -71.63 -30.64 65.99 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.031 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.447 ' O ' ' CG1' ' A' ' 20' ' ' ILE . 2.7 t80 -68.7 -33.9 74.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.128 0.489 . . . . 0.0 109.71 179.491 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -65.34 -29.97 70.76 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.8 ttp180 -66.81 -43.92 82.53 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.047 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.514 HG13 ' N ' ' A' ' 21' ' ' VAL . 1.9 pt -58.92 -33.32 49.46 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.102 0 C-N-CA 120.486 -0.486 . . . . 0.0 110.455 -179.68 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.514 ' N ' HG13 ' A' ' 20' ' ' ILE . 91.8 t -60.77 -48.88 86.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.304 179.724 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -70.2 -43.07 71.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.797 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.4 ttp180 -59.15 -36.24 74.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.903 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 14.1 mt -55.66 -49.72 72.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.828 0.347 . . . . 0.0 110.185 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 64.5 mttt -49.29 -42.49 41.38 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.314 -0.403 . . . . 0.0 109.926 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.493 ' OD2' ' ND2' ' A' ' 30' ' ' ASN . 21.2 t70 -74.76 -34.53 62.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.551 179.657 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.558 ' O ' ' N ' ' A' ' 31' ' ' LEU . 56.2 t80 -52.8 -53.19 51.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.758 -179.716 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.643 ' HA ' HD12 ' A' ' 31' ' ' LEU . 7.4 mp -51.23 -39.87 57.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.482 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 73.0 mtt180 -77.24 -35.75 55.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.59 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.493 ' ND2' ' OD2' ' A' ' 26' ' ' ASP . 76.3 m-20 -91.39 4.26 52.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.684 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.643 HD12 ' HA ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -67.48 -45.54 75.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.137 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 18.6 m -54.06 145.61 33.33 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.436 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.488 ' HG2' HH11 ' A' ' 34' ' ' ARG . 34.1 Cg_endo -65.67 -27.73 52.7 Favored 'Trans proline' 0 C--N 1.308 -1.582 0 C-N-CA 122.384 2.056 . . . . 0.0 110.497 179.454 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.488 HH11 ' HG2' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -171.41 136.24 0.99 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.592 179.033 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.494 ' OG1' ' N ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -78.5 -166.29 0.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.485 -179.657 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.494 ' N ' ' OG1' ' A' ' 35' ' ' THR . 36.9 mt-10 -81.28 109.55 15.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.533 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 56.5 p . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.619 179.939 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.583 ' N ' HD22 ' A' ' 1' ' ' LEU . 3.8 mm? . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.585 HD13 ' O ' ' A' ' 2' ' ' LEU . 0.2 OUTLIER -74.34 -44.6 51.72 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.113 0.483 . . . . 0.0 109.972 179.836 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -55.55 -35.49 62.0 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 178.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -72.88 -32.16 65.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.079 0.466 . . . . 0.0 109.951 179.145 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -66.51 -50.79 62.08 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.701 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -59.06 -44.01 91.78 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.592 -1.186 . . . . 0.0 110.39 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -65.86 -39.16 90.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.874 0.369 . . . . 0.0 110.201 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 41.6 tttm -73.91 -43.18 59.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.251 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.538 ' O ' HG23 ' A' ' 13' ' ' ILE . 27.5 t -58.05 -35.42 71.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.651 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt -46.62 -57.38 4.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.312 -179.467 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.411 ' HG2' ' H ' ' A' ' 11' ' ' GLU . 9.1 pt-20 -71.01 -29.64 65.65 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.733 0.272 . . . . 0.0 111.733 -179.264 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.451 ' HB3' ' HZ3' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -56.78 -30.78 63.98 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.882 -179.375 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.571 ' O ' ' N ' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -76.08 -50.33 23.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.278 -179.85 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.57 ' N ' ' CG1' ' A' ' 13' ' ' ILE . . . -44.24 -42.08 6.73 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.642 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -75.36 -49.92 17.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.942 0.401 . . . . 0.0 110.509 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -65.34 -51.26 61.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.575 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.571 ' N ' ' O ' ' A' ' 13' ' ' ILE . 1.7 t80 -48.92 -38.44 22.82 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.5 tttm -58.59 -41.77 86.56 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.933 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.647 ' CG ' HH11 ' A' ' 19' ' ' ARG . 0.0 OUTLIER -65.62 -43.39 89.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.343 179.731 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.421 HD12 ' N ' ' A' ' 20' ' ' ILE . 1.7 mp -54.51 -36.84 36.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 179.731 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.3 t -63.8 -40.68 89.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.095 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -68.01 -51.12 50.69 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.084 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.671 ' CG ' HH11 ' A' ' 23' ' ' ARG . 0.0 OUTLIER -62.63 -33.98 76.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.106 179.607 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.44 HG22 ' N ' ' A' ' 25' ' ' LYS . 0.7 OUTLIER -54.9 -54.65 21.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.932 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.44 ' N ' HG22 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -49.51 -33.56 14.92 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.097 179.881 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -74.0 -37.79 64.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.367 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.55 ' CZ ' HD11 ' A' ' 31' ' ' LEU . 72.0 t80 -52.94 -42.48 65.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.463 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.545 ' N ' HD12 ' A' ' 28' ' ' LEU . 7.4 mp -61.98 -51.04 69.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.806 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.661 HH11 ' HG3' ' A' ' 29' ' ' ARG . 0.4 OUTLIER -59.85 -22.04 61.76 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.777 -179.769 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -82.44 -27.13 32.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.58 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.55 HD11 ' CZ ' ' A' ' 27' ' ' PHE . 5.9 mp -71.62 -45.58 61.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.718 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.9 m -102.18 107.81 54.44 Favored Pre-proline 0 CA--C 1.532 0.276 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.456 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -82.31 -34.44 0.43 Allowed 'Trans proline' 0 C--N 1.312 -1.373 0 C-N-CA 122.448 2.099 . . . . 0.0 112.214 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -43.81 -31.75 0.9 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.65 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.67 -169.68 2.76 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.133 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -50.6 158.77 0.59 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.537 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 53.1 p . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 117.926 -1.035 . . . . 0.0 110.567 -179.963 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.585 HD13 ' O ' ' A' ' 2' ' ' LEU . 0.3 OUTLIER . . . . . 0 CA--C 1.521 -0.14 0 CA-C-O 121.132 0.492 . . . . 0.0 109.924 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.58 -36.22 70.18 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 109.407 -1.477 . . . . 0.0 109.407 178.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -73.65 -28.25 61.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.184 0.516 . . . . 0.0 110.138 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -66.68 -50.1 63.98 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.707 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.504 ' CE2' HD12 ' A' ' 2' ' ' LEU . 9.9 m-85 -52.77 -43.65 65.98 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.542 -1.208 . . . . 0.0 109.887 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -65.99 -37.52 86.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.467 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -73.79 -48.7 29.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.593 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.544 ' O ' HG23 ' A' ' 13' ' ' ILE . 41.2 t -63.47 -33.59 75.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.094 0.473 . . . . 0.0 110.306 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -50.12 -57.18 8.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.426 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -70.87 -28.96 64.96 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.66 -0.416 . . . . 0.0 111.653 -179.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.3 mtpp -56.65 -33.28 66.19 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.507 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.581 ' CG1' ' N ' ' A' ' 14' ' ' GLY . 0.6 OUTLIER -72.5 -51.2 29.98 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 C-N-CA 120.343 -0.543 . . . . 0.0 109.96 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.581 ' N ' ' CG1' ' A' ' 13' ' ' ILE . . . -45.99 -33.72 5.38 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.4 tmmt? -74.91 -50.64 16.15 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.891 -0.324 . . . . 0.0 111.241 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -79.76 -36.8 36.69 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.724 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.537 ' N ' ' O ' ' A' ' 13' ' ' ILE . 24.0 t80 -58.12 -38.62 76.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.227 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.5 tppt? -65.1 -49.21 70.86 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.05 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 42.4 mtp180 -62.99 -32.9 74.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.289 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 38.0 mt -68.01 -54.26 23.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.199 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 72.6 t -54.69 -36.75 37.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.205 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -70.12 -42.65 72.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.452 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 52.7 ttt180 -67.66 -49.01 65.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.78 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.3 mp -55.83 -38.35 51.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.239 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -55.06 -36.07 65.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.88 0.371 . . . . 0.0 110.036 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -74.15 -35.34 64.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.515 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.747 ' CE2' HD13 ' A' ' 31' ' ' LEU . 52.4 t80 -54.6 -53.87 48.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.65 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.531 HD12 ' H ' ' A' ' 28' ' ' LEU . 7.2 mp -52.59 -31.07 34.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.634 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.1 ttt180 -69.58 -42.46 74.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.864 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -89.87 5.48 46.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.974 0.416 . . . . 0.0 110.384 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.747 HD13 ' CE2' ' A' ' 27' ' ' PHE . 12.0 tp . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.52 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.609 HD13 ' O ' ' A' ' 2' ' ' LEU . 0.3 OUTLIER . . . . . 0 CA--C 1.522 -0.134 0 CA-C-O 121.123 0.487 . . . . 0.0 109.884 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.01 -35.93 71.35 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 109.38 -1.488 . . . . 0.0 109.38 178.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -73.8 -27.16 60.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.179 0.514 . . . . 0.0 110.181 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.401 ' HB3' ' O ' ' A' ' 2' ' ' LEU . 67.4 t80 -67.56 -50.21 59.55 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.775 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.422 ' CE2' HD12 ' A' ' 2' ' ' LEU . 9.0 m-85 -53.15 -37.72 62.09 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.539 -1.21 . . . . 0.0 110.34 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.681 ' CG ' HH11 ' A' ' 7' ' ' ARG . 0.0 OUTLIER -73.08 -32.96 65.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.577 179.914 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.1 tttt -71.32 -42.61 68.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.548 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.417 ' O ' HG23 ' A' ' 13' ' ' ILE . 58.1 m -68.71 -40.66 79.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.644 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.4 mmmt -46.65 -56.07 6.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.742 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -70.7 -27.98 64.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.874 0.369 . . . . 0.0 110.996 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.442 ' O ' ' OE2' ' A' ' 16' ' ' GLU . 78.1 tttt -55.91 -31.59 63.01 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.592 -179.486 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.544 ' O ' ' N ' ' A' ' 17' ' ' PHE . 1.3 pp -73.89 -37.48 48.11 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 CA-C-O 120.968 0.413 . . . . 0.0 110.387 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.485 ' N ' HG13 ' A' ' 13' ' ' ILE . . . -53.0 -48.19 58.65 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -75.56 -49.28 19.09 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.579 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.529 ' OE1' ' N ' ' A' ' 16' ' ' GLU . 0.3 OUTLIER -63.2 -51.29 66.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.991 -179.631 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.544 ' N ' ' O ' ' A' ' 13' ' ' ILE . 56.5 t80 -50.21 -44.35 53.08 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.924 -0.31 . . . . 0.0 110.588 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -58.92 -49.04 79.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.386 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 21.3 mmt180 -64.24 -36.42 84.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.158 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 42.0 mt -61.43 -49.13 85.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.204 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 74.3 t -52.9 -46.62 52.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.422 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.43 ' O ' ' OE1' ' A' ' 22' ' ' GLN . 0.0 OUTLIER -69.9 -41.71 74.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.442 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.682 ' CG ' HH11 ' A' ' 23' ' ' ARG . 0.3 OUTLIER -61.27 -40.82 95.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.737 -179.898 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.566 ' O ' HD22 ' A' ' 28' ' ' LEU . 67.3 mt -60.36 -53.33 50.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.614 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.8 tptm -48.42 -36.61 15.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.244 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -74.42 -28.92 61.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.156 179.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.489 ' O ' ' N ' ' A' ' 31' ' ' LEU . 18.8 t80 -57.78 -53.59 56.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.899 -179.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 1.054 HD22 ' H ' ' A' ' 28' ' ' LEU . 1.6 mm? -50.36 -37.51 37.47 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.468 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -75.32 -28.68 59.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.533 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -99.36 3.01 45.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.044 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.489 ' N ' ' O ' ' A' ' 27' ' ' PHE . 4.8 mt . . . . . 0 C--N 1.331 -0.232 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.278 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.597 HD13 ' O ' ' A' ' 2' ' ' LEU . 0.3 OUTLIER . . . . . 0 CA--C 1.52 -0.186 0 CA-C-O 121.091 0.472 . . . . 0.0 109.867 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -55.72 -35.21 62.07 Favored Glycine 0 CA--C 1.521 0.466 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 178.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -72.91 -31.75 64.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.082 0.468 . . . . 0.0 109.93 179.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -67.42 -50.8 57.85 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-O 121.627 0.727 . . . . 0.0 109.783 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -56.98 -51.67 68.31 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.611 -1.177 . . . . 0.0 110.215 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -56.72 -35.25 68.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.45 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.2 tttt -67.38 -48.14 68.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.608 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.418 ' O ' HG23 ' A' ' 13' ' ' ILE . 4.5 m -57.78 -37.15 73.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.342 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.72 -43.66 58.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.071 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -71.82 -35.09 69.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.997 0.427 . . . . 0.0 111.033 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.9 mmtm -56.55 -30.06 62.69 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.718 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.567 ' CG1' ' N ' ' A' ' 14' ' ' GLY . 0.3 OUTLIER -76.29 -51.31 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 C-N-CA 120.41 -0.516 . . . . 0.0 109.941 179.928 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.567 ' N ' ' CG1' ' A' ' 13' ' ' ILE . . . -44.98 -34.06 3.92 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.56 -50.29 14.28 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.859 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -71.63 -30.64 65.99 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.031 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.447 ' O ' ' CG1' ' A' ' 20' ' ' ILE . 2.7 t80 -68.7 -33.9 74.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.128 0.489 . . . . 0.0 109.71 179.491 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -65.34 -29.97 70.76 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.8 ttp180 -66.81 -43.92 82.53 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.047 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.514 HG13 ' N ' ' A' ' 21' ' ' VAL . 1.9 pt -58.92 -33.32 49.46 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.102 0 C-N-CA 120.486 -0.486 . . . . 0.0 110.455 -179.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.514 ' N ' HG13 ' A' ' 20' ' ' ILE . 91.8 t -60.77 -48.88 86.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.304 179.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -70.2 -43.07 71.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.797 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.4 ttp180 -59.15 -36.24 74.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.903 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 14.1 mt -55.66 -49.72 72.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.828 0.347 . . . . 0.0 110.185 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 64.5 mttt -49.29 -42.49 41.38 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.314 -0.403 . . . . 0.0 109.926 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.493 ' OD2' ' ND2' ' A' ' 30' ' ' ASN . 21.2 t70 -74.76 -34.53 62.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.551 179.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.558 ' O ' ' N ' ' A' ' 31' ' ' LEU . 56.2 t80 -52.8 -53.19 51.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.758 -179.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.643 ' HA ' HD12 ' A' ' 31' ' ' LEU . 7.4 mp -51.23 -39.87 57.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.482 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 73.0 mtt180 -77.24 -35.75 55.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.59 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.493 ' ND2' ' OD2' ' A' ' 26' ' ' ASP . 76.3 m-20 -91.39 4.26 52.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.684 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.643 HD12 ' HA ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.137 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.585 HD13 ' O ' ' A' ' 2' ' ' LEU . 0.2 OUTLIER . . . . . 0 CA--C 1.521 -0.142 0 CA-C-O 121.113 0.483 . . . . 0.0 109.972 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -55.55 -35.49 62.0 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 178.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -72.88 -32.16 65.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.079 0.466 . . . . 0.0 109.951 179.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -66.51 -50.79 62.08 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.701 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -59.06 -44.01 91.78 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.592 -1.186 . . . . 0.0 110.39 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -65.86 -39.16 90.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.874 0.369 . . . . 0.0 110.201 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 41.6 tttm -73.91 -43.18 59.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.251 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.538 ' O ' HG23 ' A' ' 13' ' ' ILE . 27.5 t -58.05 -35.42 71.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.651 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt -46.62 -57.38 4.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.312 -179.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.411 ' HG2' ' H ' ' A' ' 11' ' ' GLU . 9.1 pt-20 -71.01 -29.64 65.65 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.733 0.272 . . . . 0.0 111.733 -179.264 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.451 ' HB3' ' HZ3' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -56.78 -30.78 63.98 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.882 -179.375 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.571 ' O ' ' N ' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -76.08 -50.33 23.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.278 -179.85 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.57 ' N ' ' CG1' ' A' ' 13' ' ' ILE . . . -44.24 -42.08 6.73 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.642 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -75.36 -49.92 17.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.942 0.401 . . . . 0.0 110.509 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -65.34 -51.26 61.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.575 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.571 ' N ' ' O ' ' A' ' 13' ' ' ILE . 1.7 t80 -48.92 -38.44 22.82 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.5 tttm -58.59 -41.77 86.56 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.933 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.647 ' CG ' HH11 ' A' ' 19' ' ' ARG . 0.0 OUTLIER -65.62 -43.39 89.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.343 179.731 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.421 HD12 ' N ' ' A' ' 20' ' ' ILE . 1.7 mp -54.51 -36.84 36.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 179.731 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.3 t -63.8 -40.68 89.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.095 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -68.01 -51.12 50.69 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.084 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.671 ' CG ' HH11 ' A' ' 23' ' ' ARG . 0.0 OUTLIER -62.63 -33.98 76.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.106 179.607 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.44 HG22 ' N ' ' A' ' 25' ' ' LYS . 0.7 OUTLIER -54.9 -54.65 21.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.932 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.44 ' N ' HG22 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -49.51 -33.56 14.92 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.097 179.881 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.535 ' O ' ' ND2' ' A' ' 30' ' ' ASN . 12.8 t70 -74.0 -37.79 64.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.367 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.55 ' CZ ' HD11 ' A' ' 31' ' ' LEU . 72.0 t80 -52.94 -42.48 65.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.463 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.545 ' N ' HD12 ' A' ' 28' ' ' LEU . 7.4 mp -61.98 -51.04 69.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.806 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.661 HH11 ' HG3' ' A' ' 29' ' ' ARG . 0.4 OUTLIER -59.85 -22.04 61.76 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.777 -179.769 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.535 ' ND2' ' O ' ' A' ' 26' ' ' ASP . 1.2 m-80 -82.44 -27.13 32.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.58 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.55 HD11 ' CZ ' ' A' ' 27' ' ' PHE . 5.9 mp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.718 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.553 HD12 ' N ' ' A' ' 1' ' ' LEU . 10.1 mp . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.585 HD13 ' O ' ' A' ' 2' ' ' LEU . 0.3 OUTLIER -74.16 -43.93 55.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.132 0.492 . . . . 0.0 109.924 179.917 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.58 -36.22 70.18 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 109.407 -1.477 . . . . 0.0 109.407 178.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -73.65 -28.25 61.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.184 0.516 . . . . 0.0 110.138 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -66.68 -50.1 63.98 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.707 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.504 ' CE2' HD12 ' A' ' 2' ' ' LEU . 9.9 m-85 -52.77 -43.65 65.98 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.542 -1.208 . . . . 0.0 109.887 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -65.99 -37.52 86.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.467 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -73.79 -48.7 29.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.593 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.544 ' O ' HG23 ' A' ' 13' ' ' ILE . 41.2 t -63.47 -33.59 75.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.094 0.473 . . . . 0.0 110.306 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -50.12 -57.18 8.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.426 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -70.87 -28.96 64.96 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.66 -0.416 . . . . 0.0 111.653 -179.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.3 mtpp -56.65 -33.28 66.19 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.507 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.581 ' CG1' ' N ' ' A' ' 14' ' ' GLY . 0.6 OUTLIER -72.5 -51.2 29.98 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 C-N-CA 120.343 -0.543 . . . . 0.0 109.96 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.581 ' N ' ' CG1' ' A' ' 13' ' ' ILE . . . -45.99 -33.72 5.38 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.4 tmmt? -74.91 -50.64 16.15 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.891 -0.324 . . . . 0.0 111.241 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -79.76 -36.8 36.69 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.724 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.537 ' N ' ' O ' ' A' ' 13' ' ' ILE . 24.0 t80 -58.12 -38.62 76.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.227 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.5 tppt? -65.1 -49.21 70.86 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.05 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 42.4 mtp180 -62.99 -32.9 74.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.289 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 38.0 mt -68.01 -54.26 23.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.199 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 72.6 t -54.69 -36.75 37.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.205 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -70.12 -42.65 72.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.452 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 52.7 ttt180 -67.66 -49.01 65.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.78 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.3 mp -55.83 -38.35 51.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.239 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -55.06 -36.07 65.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.88 0.371 . . . . 0.0 110.036 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -74.15 -35.34 64.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.515 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.747 ' CE2' HD13 ' A' ' 31' ' ' LEU . 52.4 t80 -54.6 -53.87 48.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.65 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.531 HD12 ' H ' ' A' ' 28' ' ' LEU . 7.2 mp -52.59 -31.07 34.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.634 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.1 ttt180 -69.58 -42.46 74.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.864 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -89.87 5.48 46.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.974 0.416 . . . . 0.0 110.384 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.747 HD13 ' CE2' ' A' ' 27' ' ' PHE . 12.0 tp -85.02 -61.2 1.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.52 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.426 ' O ' HG23 ' A' ' 32' ' ' VAL . 2.1 m -63.04 131.05 94.59 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.307 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -72.27 -33.01 9.7 Favored 'Trans proline' 0 C--N 1.311 -1.418 0 C-N-CA 121.897 1.731 . . . . 0.0 110.909 179.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.71 HH11 ' HG2' ' A' ' 34' ' ' ARG . 1.9 mtt-85 -140.9 119.77 12.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.513 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.452 ' H ' HG23 ' A' ' 35' ' ' THR . 0.2 OUTLIER -72.04 -164.65 0.14 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.233 179.664 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -70.91 134.59 47.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.447 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.3 m . . . . . 0 C--O 1.219 -0.518 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.615 -179.88 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 27.3 mt . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.609 HD13 ' O ' ' A' ' 2' ' ' LEU . 0.3 OUTLIER -73.07 -43.96 61.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.123 0.487 . . . . 0.0 109.884 179.804 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.01 -35.93 71.35 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 109.38 -1.488 . . . . 0.0 109.38 178.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -73.8 -27.16 60.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.179 0.514 . . . . 0.0 110.181 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.401 ' HB3' ' O ' ' A' ' 2' ' ' LEU . 67.4 t80 -67.56 -50.21 59.55 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.775 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.422 ' CE2' HD12 ' A' ' 2' ' ' LEU . 9.0 m-85 -53.15 -37.72 62.09 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.539 -1.21 . . . . 0.0 110.34 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.681 ' CG ' HH11 ' A' ' 7' ' ' ARG . 0.0 OUTLIER -73.08 -32.96 65.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.577 179.914 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.1 tttt -71.32 -42.61 68.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.548 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.417 ' O ' HG23 ' A' ' 13' ' ' ILE . 58.1 m -68.71 -40.66 79.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.644 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.4 mmmt -46.65 -56.07 6.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.742 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -70.7 -27.98 64.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.874 0.369 . . . . 0.0 110.996 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.442 ' O ' ' OE2' ' A' ' 16' ' ' GLU . 78.1 tttt -55.91 -31.59 63.01 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.592 -179.486 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.544 ' O ' ' N ' ' A' ' 17' ' ' PHE . 1.3 pp -73.89 -37.48 48.11 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 CA-C-O 120.968 0.413 . . . . 0.0 110.387 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.485 ' N ' HG13 ' A' ' 13' ' ' ILE . . . -53.0 -48.19 58.65 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -75.56 -49.28 19.09 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.579 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.529 ' OE1' ' N ' ' A' ' 16' ' ' GLU . 0.3 OUTLIER -63.2 -51.29 66.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.991 -179.631 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.544 ' N ' ' O ' ' A' ' 13' ' ' ILE . 56.5 t80 -50.21 -44.35 53.08 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.924 -0.31 . . . . 0.0 110.588 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -58.92 -49.04 79.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.386 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 21.3 mmt180 -64.24 -36.42 84.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.158 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 42.0 mt -61.43 -49.13 85.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.204 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 74.3 t -52.9 -46.62 52.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.422 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.43 ' O ' ' OE1' ' A' ' 22' ' ' GLN . 0.0 OUTLIER -69.9 -41.71 74.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.442 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.682 ' CG ' HH11 ' A' ' 23' ' ' ARG . 0.3 OUTLIER -61.27 -40.82 95.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.737 -179.898 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.566 ' O ' HD22 ' A' ' 28' ' ' LEU . 67.3 mt -60.36 -53.33 50.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.614 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.8 tptm -48.42 -36.61 15.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.244 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -74.42 -28.92 61.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.156 179.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.489 ' O ' ' N ' ' A' ' 31' ' ' LEU . 18.8 t80 -57.78 -53.59 56.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.899 -179.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 1.054 HD22 ' H ' ' A' ' 28' ' ' LEU . 1.6 mm? -50.36 -37.51 37.47 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.468 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -75.32 -28.68 59.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.533 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -99.36 3.01 45.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.044 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.489 ' N ' ' O ' ' A' ' 27' ' ' PHE . 4.8 mt -67.51 -11.15 57.3 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.278 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.8 m -99.47 109.66 55.8 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.531 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.48 ' C ' ' H ' ' A' ' 35' ' ' THR . 94.5 Cg_endo -81.24 -31.89 1.12 Allowed 'Trans proline' 0 C--N 1.312 -1.344 0 C-N-CA 122.405 2.07 . . . . 0.0 112.043 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 46.2 mtp180 -48.85 -11.84 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.695 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.613 HG22 ' H ' ' A' ' 36' ' ' GLU . 0.6 OUTLIER -76.66 -151.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.553 -179.918 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.613 ' H ' HG22 ' A' ' 35' ' ' THR . 27.5 mt-10 -63.09 145.9 54.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.71 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 47.2 t . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.051 -0.976 . . . . 0.0 110.517 -179.981 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.494 HD23 ' H1 ' ' A' ' 1' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.496 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.597 HD13 ' O ' ' A' ' 2' ' ' LEU . 0.3 OUTLIER -72.78 -44.41 61.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.091 0.472 . . . . 0.0 109.867 179.86 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -55.72 -35.21 62.07 Favored Glycine 0 CA--C 1.521 0.466 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 178.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -72.91 -31.75 64.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.082 0.468 . . . . 0.0 109.93 179.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -67.42 -50.8 57.85 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-O 121.627 0.727 . . . . 0.0 109.783 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -56.98 -51.67 68.31 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.611 -1.177 . . . . 0.0 110.215 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -56.72 -35.25 68.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.45 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.2 tttt -67.38 -48.14 68.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.608 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.418 ' O ' HG23 ' A' ' 13' ' ' ILE . 4.5 m -57.78 -37.15 73.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.342 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.72 -43.66 58.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.071 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -71.82 -35.09 69.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.997 0.427 . . . . 0.0 111.033 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.9 mmtm -56.55 -30.06 62.69 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.718 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.567 ' CG1' ' N ' ' A' ' 14' ' ' GLY . 0.3 OUTLIER -76.29 -51.31 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 C-N-CA 120.41 -0.516 . . . . 0.0 109.941 179.928 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.567 ' N ' ' CG1' ' A' ' 13' ' ' ILE . . . -44.98 -34.06 3.92 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.56 -50.29 14.28 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.859 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -71.63 -30.64 65.99 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.031 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.447 ' O ' ' CG1' ' A' ' 20' ' ' ILE . 2.7 t80 -68.7 -33.9 74.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.128 0.489 . . . . 0.0 109.71 179.491 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -65.34 -29.97 70.76 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.8 ttp180 -66.81 -43.92 82.53 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.047 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.514 HG13 ' N ' ' A' ' 21' ' ' VAL . 1.9 pt -58.92 -33.32 49.46 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.102 0 C-N-CA 120.486 -0.486 . . . . 0.0 110.455 -179.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.514 ' N ' HG13 ' A' ' 20' ' ' ILE . 91.8 t -60.77 -48.88 86.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.304 179.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -70.2 -43.07 71.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.797 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.4 ttp180 -59.15 -36.24 74.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.903 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 14.1 mt -55.66 -49.72 72.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.828 0.347 . . . . 0.0 110.185 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 64.5 mttt -49.29 -42.49 41.38 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.314 -0.403 . . . . 0.0 109.926 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.493 ' OD2' ' ND2' ' A' ' 30' ' ' ASN . 21.2 t70 -74.76 -34.53 62.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.551 179.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.558 ' O ' ' N ' ' A' ' 31' ' ' LEU . 56.2 t80 -52.8 -53.19 51.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.758 -179.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.643 ' HA ' HD12 ' A' ' 31' ' ' LEU . 7.4 mp -51.23 -39.87 57.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.482 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 73.0 mtt180 -77.24 -35.75 55.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.59 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.493 ' ND2' ' OD2' ' A' ' 26' ' ' ASP . 76.3 m-20 -91.39 4.26 52.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.684 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.643 HD12 ' HA ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -67.48 -45.54 75.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.137 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 18.6 m -54.06 145.61 33.33 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.436 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.488 ' HG2' HH11 ' A' ' 34' ' ' ARG . 34.1 Cg_endo -65.67 -27.73 52.7 Favored 'Trans proline' 0 C--N 1.308 -1.582 0 C-N-CA 122.384 2.056 . . . . 0.0 110.497 179.454 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.488 HH11 ' HG2' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -171.41 136.24 0.99 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.592 179.033 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.494 ' OG1' ' N ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -78.5 -166.29 0.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.485 -179.657 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.494 ' N ' ' OG1' ' A' ' 35' ' ' THR . 36.9 mt-10 -81.28 109.55 15.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.533 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 56.5 p . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.619 179.939 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.583 ' N ' HD22 ' A' ' 1' ' ' LEU . 3.8 mm? . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.585 HD13 ' O ' ' A' ' 2' ' ' LEU . 0.2 OUTLIER -74.34 -44.6 51.72 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.113 0.483 . . . . 0.0 109.972 179.836 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -55.55 -35.49 62.0 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 178.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -72.88 -32.16 65.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.079 0.466 . . . . 0.0 109.951 179.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -66.51 -50.79 62.08 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.701 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -59.06 -44.01 91.78 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.592 -1.186 . . . . 0.0 110.39 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -65.86 -39.16 90.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.874 0.369 . . . . 0.0 110.201 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 41.6 tttm -73.91 -43.18 59.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.251 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.538 ' O ' HG23 ' A' ' 13' ' ' ILE . 27.5 t -58.05 -35.42 71.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.651 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt -46.62 -57.38 4.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.312 -179.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.411 ' HG2' ' H ' ' A' ' 11' ' ' GLU . 9.1 pt-20 -71.01 -29.64 65.65 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.733 0.272 . . . . 0.0 111.733 -179.264 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.451 ' HB3' ' HZ3' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -56.78 -30.78 63.98 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.882 -179.375 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.571 ' O ' ' N ' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -76.08 -50.33 23.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.278 -179.85 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.57 ' N ' ' CG1' ' A' ' 13' ' ' ILE . . . -44.24 -42.08 6.73 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.642 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -75.36 -49.92 17.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.942 0.401 . . . . 0.0 110.509 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -65.34 -51.26 61.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.575 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.571 ' N ' ' O ' ' A' ' 13' ' ' ILE . 1.7 t80 -48.92 -38.44 22.82 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.5 tttm -58.59 -41.77 86.56 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.933 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.647 ' CG ' HH11 ' A' ' 19' ' ' ARG . 0.0 OUTLIER -65.62 -43.39 89.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.343 179.731 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.421 HD12 ' N ' ' A' ' 20' ' ' ILE . 1.7 mp -54.51 -36.84 36.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 179.731 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.3 t -63.8 -40.68 89.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.095 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -68.01 -51.12 50.69 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.084 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.671 ' CG ' HH11 ' A' ' 23' ' ' ARG . 0.0 OUTLIER -62.63 -33.98 76.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.106 179.607 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.44 HG22 ' N ' ' A' ' 25' ' ' LYS . 0.7 OUTLIER -54.9 -54.65 21.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.932 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.44 ' N ' HG22 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -49.51 -33.56 14.92 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.097 179.881 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.535 ' O ' ' ND2' ' A' ' 30' ' ' ASN . 12.8 t70 -74.0 -37.79 64.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.367 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.55 ' CZ ' HD11 ' A' ' 31' ' ' LEU . 72.0 t80 -52.94 -42.48 65.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.463 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.545 ' N ' HD12 ' A' ' 28' ' ' LEU . 7.4 mp -61.98 -51.04 69.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.806 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.661 HH11 ' HG3' ' A' ' 29' ' ' ARG . 0.4 OUTLIER -59.85 -22.04 61.76 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.777 -179.769 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.535 ' ND2' ' O ' ' A' ' 26' ' ' ASP . 1.2 m-80 -82.44 -27.13 32.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.58 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.55 HD11 ' CZ ' ' A' ' 27' ' ' PHE . 5.9 mp -71.62 -45.58 61.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.718 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.9 m -102.18 107.81 54.44 Favored Pre-proline 0 CA--C 1.532 0.276 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.456 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -82.31 -34.44 0.43 Allowed 'Trans proline' 0 C--N 1.312 -1.373 0 C-N-CA 122.448 2.099 . . . . 0.0 112.214 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -43.81 -31.75 0.9 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.65 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.67 -169.68 2.76 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.133 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -50.6 158.77 0.59 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.537 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 53.1 p . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 117.926 -1.035 . . . . 0.0 110.567 -179.963 . . . . . . . . 0 0 . 1 stop_ save_