data_2jo1_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 2jo1 _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 ' 13' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 . . . . . 0 N--CA 1.461 0.081 0 CA-C-O 120.919 0.39 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -51.46 -48.24 62.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 82.4 p -84.52 -32.36 23.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 112.025 -179.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 tp -80.69 -4.05 52.93 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -178.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -73.75 -47.09 41.75 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.62 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 13.9 mm -95.96 -27.38 4.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 120.674 0.273 . . . . 0.0 111.396 -179.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -37.51 -81.88 0.02 OUTLIER Glycine 0 CA--C 1.528 0.896 0 CA-C-N 116.168 -0.469 . . . . 0.0 112.128 -179.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -42.36 -37.84 2.62 Favored Glycine 0 CA--C 1.529 0.913 0 N-CA-C 112.22 -0.352 . . . . 0.0 112.22 -179.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.7 mt -65.44 -44.2 88.07 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -178.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 18.3 t -68.32 -49.28 68.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -178.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.3 pt -65.0 -41.77 92.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 120.976 -0.29 . . . . 0.0 111.517 -178.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.14 -45.07 94.28 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.193 0.52 . . . . 0.0 110.224 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.92 -36.2 93.1 Favored Glycine 0 CA--C 1.525 0.665 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.61 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -65.65 -36.05 76.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.415 -0.514 . . . . 0.0 110.867 -179.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.7 tp -64.87 -47.37 78.11 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.48 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -71.13 -36.39 72.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.465 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.4 HG23 HD12 ' A' ' 29' ' ' ILE . 30.6 mt -65.19 -44.99 95.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 179.264 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.6 tp -64.77 -34.28 77.98 Favored 'General case' 0 N--CA 1.436 -1.161 0 N-CA-C 105.27 -2.122 . . . . 0.0 105.27 176.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.5 -52.35 53.62 Favored Glycine 0 CA--C 1.531 1.034 0 CA-C-N 113.15 -1.841 . . . . 0.0 111.544 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 87.7 mt -63.96 -44.59 97.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.608 0.242 . . . . 0.0 111.161 -179.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.415 ' O ' ' OG ' ' A' ' 37' ' ' SER . 96.4 mt -63.62 -44.27 94.41 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 179.497 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 23.5 mt -61.03 -45.75 97.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.247 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 49.3 t -57.05 -52.16 59.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.108 -179.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 76.8 mt -66.36 -32.28 73.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.636 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.446 ' O ' ' SG ' ' A' ' 40' ' ' CYS . 73.6 m -61.26 -35.84 78.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.563 -179.374 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -57.2 -34.15 68.24 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.572 -179.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 44.7 mmt-85 -63.34 -31.25 72.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.458 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.58 ' SG ' ' N ' ' A' ' 41' ' ' ARG . 0.8 OUTLIER -59.57 -39.27 83.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.704 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.58 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 76.6 mtt-85 -62.58 -45.47 92.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.053 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 7.8 m -79.0 -33.55 44.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.055 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -72.94 -30.28 63.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.379 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -65.59 -47.25 76.38 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.049 0.388 . . . . 0.0 112.049 -178.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.38 0 C-N-CA 120.574 -0.45 . . . . 0.0 111.011 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 . . . . . 0 CA--C 1.524 -0.038 0 CA-C-O 120.763 0.316 . . . . 0.0 110.372 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -51.98 -49.79 62.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.103 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 83.7 p -84.53 -32.73 23.73 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.826 -0.349 . . . . 0.0 111.275 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 tp -79.07 -5.55 54.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.301 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -72.83 -53.34 11.74 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.871 -0.332 . . . . 0.0 111.22 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.404 ' O ' ' O ' ' A' ' 19' ' ' GLY . 0.3 OUTLIER -91.22 -4.95 10.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.806 0.336 . . . . 0.0 111.369 -179.279 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 21' ' ' LEU . . . -51.08 -105.34 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 C-N-CA 121.194 -0.527 . . . . 0.0 111.844 -179.419 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -33.51 -32.52 0.01 OUTLIER Glycine 0 CA--C 1.528 0.886 0 CA-C-N 115.612 -0.294 . . . . 0.0 112.714 -178.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 19' ' ' GLY . 28.6 mt -63.91 -51.03 66.39 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.919 -179.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 78.1 t -67.81 -49.65 67.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.861 -0.336 . . . . 0.0 111.063 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.9 mm -57.65 -45.95 86.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.525 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.42 -37.37 72.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.057 0.456 . . . . 0.0 110.028 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.37 -41.1 99.44 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.395 -0.682 . . . . 0.0 111.395 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.6 mm -64.52 -44.44 96.89 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.151 0 C-N-CA 120.385 -0.526 . . . . 0.0 111.319 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 30.4 tp -58.14 -47.82 82.14 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 120.654 0.264 . . . . 0.0 111.538 -178.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.403 ' O ' ' N ' ' A' ' 31' ' ' GLY . 17.2 m-85 -70.54 -41.12 72.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.766 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.9 mt -58.7 -44.75 90.6 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.377 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.8 mp -63.76 -33.63 76.08 Favored 'General case' 0 N--CA 1.434 -1.268 0 N-CA-C 104.511 -2.403 . . . . 0.0 104.511 175.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . -56.33 -51.48 55.87 Favored Glycine 0 CA--C 1.533 1.182 0 CA-C-N 113.669 -1.605 . . . . 0.0 111.937 -179.381 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 15.4 mm -70.51 -44.71 76.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 116.86 0.33 . . . . 0.0 111.333 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.9 mt -61.01 -46.18 91.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.173 0.511 . . . . 0.0 110.031 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.3 mt -60.21 -44.67 95.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.824 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 34.4 t -59.5 -52.92 55.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 N-CA-C 112.138 0.422 . . . . 0.0 112.138 -178.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.2 mp -66.63 -31.84 72.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.951 0.405 . . . . 0.0 110.271 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.49 ' O ' ' SG ' ' A' ' 40' ' ' CYS . 21.8 m -60.77 -35.82 77.4 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.346 -179.462 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -57.13 -37.08 71.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.853 0.359 . . . . 0.0 110.535 -179.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 52.6 ttt85 -60.45 -29.38 68.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.414 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.574 ' SG ' ' N ' ' A' ' 41' ' ' ARG . 0.8 OUTLIER -59.86 -40.78 89.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.968 -179.816 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.574 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 56.5 ttt85 -61.22 -44.84 96.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.83 0.348 . . . . 0.0 110.485 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.3 m -72.75 -46.18 54.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.576 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.2 tttm -67.09 -27.63 67.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.158 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -66.29 -45.52 80.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.396 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.533 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 . . . . . 0 CA--C 1.526 0.05 0 CA-C-O 120.592 0.234 . . . . 0.0 110.793 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 71.0 tp60 -51.46 -52.13 49.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.035 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 83.7 p -83.81 -30.72 26.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.405 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 tp -82.14 -3.35 54.68 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.435 -179.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.519 ' O ' ' NE2' ' A' ' 17' ' ' GLN . 19.7 tp60 -77.48 -45.26 26.18 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.236 -179.575 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.429 ' CG2' ' O ' ' A' ' 18' ' ' ILE . 42.4 mm -100.31 -5.0 9.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.668 0.271 . . . . 0.0 111.111 -179.526 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 21' ' ' LEU . . . -50.02 -99.43 0.01 OUTLIER Glycine 0 CA--C 1.528 0.9 0 C-N-CA 121.206 -0.521 . . . . 0.0 111.955 -179.412 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -36.32 -29.3 0.02 OUTLIER Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.961 -0.455 . . . . 0.0 111.961 -179.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 19' ' ' GLY . 3.4 mp -62.26 -51.43 67.76 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.871 -0.332 . . . . 0.0 111.072 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.1 t -69.32 -49.48 60.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.068 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 79.3 mt -58.49 -46.28 89.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.942 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.77 -45.6 82.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.99 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.48 -35.44 91.07 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 111.504 -0.638 . . . . 0.0 111.504 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 83.9 mt -64.33 -44.46 97.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -178.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 54.7 mt -63.62 -47.55 80.94 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.824 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -66.73 -39.17 87.85 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.829 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 18.5 mt -63.94 -41.13 91.53 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.365 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.0 mt -64.7 -33.97 77.22 Favored 'General case' 0 N--CA 1.435 -1.196 0 N-CA-C 104.902 -2.258 . . . . 0.0 104.902 175.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.95 -52.23 52.42 Favored Glycine 0 CA--C 1.531 1.088 0 CA-C-N 113.184 -1.825 . . . . 0.0 111.699 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 31.9 mm -66.01 -44.84 92.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.225 0 O-C-N 122.575 -0.368 . . . . 0.0 111.333 -179.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 91.1 mt -63.6 -44.25 94.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.052 0.454 . . . . 0.0 110.1 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 32.0 mt -60.69 -47.74 91.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.371 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 41.2 t -56.87 -52.68 52.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.164 -179.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 82.9 mt -66.29 -33.83 76.62 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.744 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 73.5 m -61.54 -36.63 81.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.304 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -57.5 -37.25 72.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.873 0.368 . . . . 0.0 110.83 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.536 ' CZ ' ' HZ3' ' A' ' 43' ' ' LYS . 56.7 ttt180 -59.61 -27.59 66.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.595 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 35.4 m -60.33 -44.7 95.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.987 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -56.96 -41.44 78.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.559 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.57 -36.37 57.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.536 ' HZ3' ' CZ ' ' A' ' 39' ' ' ARG . 66.4 mttt -76.73 -30.31 56.57 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.52 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.601 ' CE2' ' ND2' ' A' ' 45' ' ' ASN . 39.0 t80 -65.25 -48.47 73.15 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.62 -178.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.601 ' ND2' ' CE2' ' A' ' 44' ' ' PHE . 65.8 m-20 . . . . . 0 C--N 1.328 -0.369 0 CA-C-O 120.747 0.308 . . . . 0.0 110.639 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.423 ' O ' ' N ' ' A' ' 17' ' ' GLN . 58.0 m-85 . . . . . 0 N--CA 1.46 0.031 0 CA-C-O 120.753 0.311 . . . . 0.0 110.527 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -51.7 -50.28 60.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.275 -179.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 83.0 p -84.28 -34.64 23.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.575 -179.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 tp -77.53 -14.12 59.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.626 -179.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 13' ' ' TYR . 26.9 tt0 -66.03 -49.68 66.88 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.909 -0.316 . . . . 0.0 111.402 -179.451 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 6.4 mt -93.85 -12.68 8.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.862 0.363 . . . . 0.0 111.161 -179.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -44.37 -96.44 0.01 OUTLIER Glycine 0 CA--C 1.528 0.847 0 C-N-CA 121.232 -0.508 . . . . 0.0 111.933 -179.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -37.01 -35.78 0.15 Allowed Glycine 0 CA--C 1.528 0.898 0 N-CA-C 112.133 -0.387 . . . . 0.0 112.133 -178.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.3 mt -58.8 -50.27 74.58 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 122.615 -0.344 . . . . 0.0 111.613 -179.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 73.4 t -69.22 -47.1 75.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.679 0.276 . . . . 0.0 111.599 -179.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 81.7 mt -62.44 -46.25 96.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.599 -178.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.95 -44.15 94.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.984 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.67 -36.39 91.53 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 64.8 mt -63.73 -43.98 98.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.358 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 31.7 tp -60.53 -46.92 88.4 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.653 0.263 . . . . 0.0 110.871 -179.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -68.76 -36.72 78.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.728 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.411 HD11 HG22 ' A' ' 29' ' ' ILE . 19.4 mt -64.53 -44.15 96.87 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 179.365 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.1 tp -64.77 -34.42 78.3 Favored 'General case' 0 N--CA 1.437 -1.085 0 N-CA-C 104.756 -2.313 . . . . 0.0 104.756 176.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.63 -51.77 55.92 Favored Glycine 0 CA--C 1.532 1.126 0 CA-C-N 113.013 -1.903 . . . . 0.0 111.706 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.0 mt -67.04 -44.64 88.16 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.115 0 O-C-N 122.729 -0.277 . . . . 0.0 111.269 -179.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.5 mt -63.54 -44.62 93.68 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.715 -0.394 . . . . 0.0 109.948 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 29.7 mt -60.19 -47.04 93.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.381 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 39.2 t -56.78 -51.22 69.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.701 0.286 . . . . 0.0 111.068 -179.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.7 tp -66.2 -35.25 79.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.105 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.78 -35.45 76.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.234 -179.303 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.22 -36.02 70.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.801 -179.272 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 34.5 mmm-85 -61.24 -27.83 68.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.628 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 44' ' ' PHE . 36.1 m -60.3 -47.55 85.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.977 -179.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 73.8 ttt180 -54.98 -40.24 69.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.959 0.409 . . . . 0.0 110.43 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.4 m -75.92 -37.03 59.16 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.504 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 53.7 mttt -78.26 -26.76 47.33 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.608 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 40' ' ' CYS . 2.0 m-85 -66.51 -47.01 74.32 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.261 -179.483 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 13.5 m120 . . . . . 0 N--CA 1.464 0.229 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.588 -179.748 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.4 ' O ' ' N ' ' A' ' 17' ' ' GLN . 27.6 m-85 . . . . . 0 N--CA 1.46 0.064 0 CA-C-O 120.55 0.214 . . . . 0.0 110.699 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -51.66 -51.55 55.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.452 -179.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.5 t -83.69 -31.07 26.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.757 0.313 . . . . 0.0 111.422 -179.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.4 mt -79.74 -9.3 59.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.137 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 13' ' ' TYR . 8.5 mm-40 -70.61 -49.15 50.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.833 0.349 . . . . 0.0 110.94 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.1 mm -96.43 -6.15 9.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.044 -179.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -51.74 -95.94 0.01 OUTLIER Glycine 0 CA--C 1.528 0.879 0 C-N-CA 121.098 -0.572 . . . . 0.0 111.746 -179.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -38.1 -31.34 0.1 OUTLIER Glycine 0 CA--C 1.528 0.901 0 N-CA-C 112.253 -0.339 . . . . 0.0 112.253 -179.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.6 mp -61.44 -51.4 68.89 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 122.624 -0.339 . . . . 0.0 111.431 -179.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 61.8 t -68.41 -44.98 82.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.328 -179.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.0 mm -62.79 -46.42 96.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 C-N-CA 120.881 -0.327 . . . . 0.0 111.247 -179.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.66 -43.29 84.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.852 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.68 -38.12 95.37 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 80.4 mt -62.53 -43.09 98.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 111.673 0.249 . . . . 0.0 111.673 -179.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 35.9 tp -64.13 -47.6 79.33 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.724 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -67.31 -36.32 81.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.305 179.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.0 mt -66.58 -43.38 90.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 mt -64.71 -34.09 77.5 Favored 'General case' 0 N--CA 1.437 -1.108 0 N-CA-C 104.342 -2.466 . . . . 0.0 104.342 175.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.8 -51.47 57.9 Favored Glycine 0 CA--C 1.531 1.055 0 CA-C-N 112.837 -1.983 . . . . 0.0 111.625 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.1 mt -66.56 -44.5 90.05 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.139 0 O-C-N 122.705 -0.291 . . . . 0.0 111.39 -179.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 94.3 mt -65.03 -44.17 89.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.086 0.47 . . . . 0.0 110.221 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 32.1 mt -60.59 -46.39 95.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.362 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 46.2 t -56.49 -52.29 54.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.894 -179.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 83.0 mt -66.47 -34.69 78.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.075 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 67.9 m -61.12 -35.57 77.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.507 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -57.49 -34.75 69.38 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.953 -0.299 . . . . 0.0 111.033 -179.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.3 tpp180 -61.32 -30.65 70.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.84 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -57.86 -45.57 86.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.087 -179.529 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.515 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 65.8 ttt-85 -55.83 -43.22 76.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.099 -179.591 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.42 ' O ' ' OD1' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -78.91 -32.8 45.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.468 -179.425 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.6 ttpp -73.82 -32.3 63.65 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.704 -179.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.462 ' CD2' ' N ' ' A' ' 45' ' ' ASN . 0.5 OUTLIER -65.91 -47.93 73.11 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -178.635 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.515 ' ND2' ' O ' ' A' ' 41' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.411 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.301 -179.542 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 . . . . . 0 C--O 1.23 0.027 0 CA-C-O 120.8 0.333 . . . . 0.0 110.318 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -51.51 -51.75 52.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.336 -179.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 83.4 p -82.01 -32.73 30.43 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 121.014 -0.274 . . . . 0.0 111.512 -179.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.0 tp -81.19 -3.86 53.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.362 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -73.76 -47.14 41.2 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.304 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 2.3 tt -99.15 5.05 9.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.345 -179.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 21' ' ' LEU . . . -66.35 -89.72 0.05 OUTLIER Glycine 0 CA--C 1.528 0.866 0 C-N-CA 120.866 -0.683 . . . . 0.0 111.466 -179.498 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -37.32 -29.82 0.04 OUTLIER Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.65 -0.58 . . . . 0.0 111.65 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 19' ' ' GLY . 8.8 mp -70.77 -51.21 28.5 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -179.098 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 19.8 t -68.05 -50.83 55.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 120.471 -0.492 . . . . 0.0 112.227 -178.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.0 pt -59.18 -39.77 79.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 120.461 -0.495 . . . . 0.0 110.68 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.91 -37.42 84.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.965 0.412 . . . . 0.0 110.148 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.93 -41.97 99.7 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 111.489 -0.645 . . . . 0.0 111.489 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.9 mm -64.23 -44.29 97.41 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.123 0 C-N-CA 120.388 -0.525 . . . . 0.0 111.027 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 30.4 tp -55.76 -47.56 76.8 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.904 -179.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -71.43 -44.85 64.09 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.226 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 42.5 mt -58.32 -43.43 86.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.1 tp -65.16 -34.6 78.77 Favored 'General case' 0 N--CA 1.437 -1.089 0 N-CA-C 104.901 -2.259 . . . . 0.0 104.901 176.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.39 -52.43 51.72 Favored Glycine 0 CA--C 1.534 1.254 0 CA-C-N 113.272 -1.785 . . . . 0.0 111.713 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 20.6 mm -68.68 -44.8 82.17 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 117.022 0.411 . . . . 0.0 111.019 -179.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.431 ' O ' ' OG ' ' A' ' 37' ' ' SER . 96.2 mt -59.1 -45.87 89.75 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.549 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 31.5 mt -60.5 -44.65 96.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.49 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 40.8 t -57.07 -52.87 50.59 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.635 -178.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.2 mp -66.8 -33.46 75.67 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.234 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.431 ' OG ' ' O ' ' A' ' 33' ' ' LEU . 64.0 m -60.95 -35.85 77.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.068 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -39.04 77.25 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.457 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -58.09 -30.98 66.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.847 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 35.3 m -57.93 -38.99 76.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.687 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -60.33 -38.71 84.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.605 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.5 m -78.92 -37.79 39.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.625 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 37.4 mttm -76.12 -27.25 57.02 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.554 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -65.55 -47.78 74.67 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.522 -178.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 . . . . . 0 C--N 1.329 -0.31 0 C-N-CA 120.764 -0.375 . . . . 0.0 110.973 -179.741 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.411 ' O ' ' N ' ' A' ' 17' ' ' GLN . 24.4 m-85 . . . . . 0 CA--C 1.524 -0.046 0 CA-C-O 120.751 0.31 . . . . 0.0 110.277 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -51.66 -52.26 49.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.019 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 82.5 p -81.84 -30.73 31.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.775 0.321 . . . . 0.0 111.179 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.5 mt -81.43 -3.4 52.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.114 -179.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 13' ' ' TYR . 2.6 mt-30 -74.87 -50.88 15.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.309 -179.533 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.412 ' O ' ' O ' ' A' ' 19' ' ' GLY . 10.7 mm -95.42 -6.52 10.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.749 0.309 . . . . 0.0 110.892 -179.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.468 ' O ' ' N ' ' A' ' 21' ' ' LEU . . . -48.74 -102.77 0.01 OUTLIER Glycine 0 CA--C 1.527 0.809 0 N-CA-C 111.741 -0.544 . . . . 0.0 111.741 -179.541 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -34.59 -30.9 0.01 OUTLIER Glycine 0 CA--C 1.527 0.815 0 N-CA-C 112.145 -0.382 . . . . 0.0 112.145 -179.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 19' ' ' GLY . 4.9 mp -62.69 -51.53 66.84 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.903 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.2 t -68.39 -50.28 58.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.88 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.405 HG23 HD12 ' A' ' 23' ' ' ILE . 80.1 mt -56.32 -46.27 81.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.908 0.385 . . . . 0.0 110.436 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.4 -37.35 70.02 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.972 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.44 -39.06 97.3 Favored Glycine 0 CA--C 1.529 0.915 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.74 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.0 mm -65.21 -44.7 95.18 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.177 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.504 -179.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 47.1 mt -60.43 -47.44 86.1 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 120.771 -0.372 . . . . 0.0 111.411 -179.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -70.26 -36.41 74.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.855 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 16.6 mt -66.4 -43.52 91.16 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.384 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.9 mt -64.63 -34.35 78.07 Favored 'General case' 0 N--CA 1.436 -1.169 0 N-CA-C 104.955 -2.239 . . . . 0.0 104.955 176.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.17 -51.88 55.82 Favored Glycine 0 CA--C 1.53 1.003 0 CA-C-N 113.577 -1.647 . . . . 0.0 111.23 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 90.8 mt -65.44 -45.09 93.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 O-C-N 122.719 -0.283 . . . . 0.0 111.482 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 97.5 mt -64.31 -45.85 86.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.994 0.426 . . . . 0.0 110.156 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 41.5 mt -60.15 -45.93 95.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.574 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 54.6 t -56.42 -52.3 54.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.935 -179.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 78.6 mt -66.15 -33.98 77.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.844 0.354 . . . . 0.0 110.613 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.496 ' O ' ' SG ' ' A' ' 40' ' ' CYS . 59.4 m -61.42 -35.27 77.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.365 -179.628 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -56.64 -31.96 64.87 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.816 -179.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.7 mtp85 -67.27 -30.54 70.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.806 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.579 ' SG ' ' N ' ' A' ' 41' ' ' ARG . 1.8 p -58.78 -42.77 89.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.29 -179.232 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.579 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 18.3 ttp85 -58.18 -43.68 87.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.882 0.372 . . . . 0.0 110.636 -179.616 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.8 m -73.45 -39.02 65.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.739 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -73.03 -26.09 61.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.176 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -64.93 -47.65 76.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.381 -179.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.428 ' ND2' ' O ' ' A' ' 41' ' ' ARG . 9.6 p30 . . . . . 0 C--N 1.327 -0.375 0 CA-C-O 120.827 0.346 . . . . 0.0 110.988 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.844 0.354 . . . . 0.0 110.407 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -52.06 -51.04 60.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.453 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 82.6 p -84.1 -30.63 25.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.538 -179.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 tp -81.92 -5.47 58.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.705 0.288 . . . . 0.0 111.157 -179.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -70.32 -51.51 29.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.232 -179.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -94.56 -2.08 10.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.88 -179.537 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -53.12 -96.48 0.01 OUTLIER Glycine 0 CA--C 1.528 0.863 0 C-N-CA 121.14 -0.553 . . . . 0.0 111.884 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -39.27 -34.18 0.35 Allowed Glycine 0 CA--C 1.527 0.826 0 N-CA-C 111.917 -0.473 . . . . 0.0 111.917 -179.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.8 mp -58.9 -51.2 71.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.713 0.292 . . . . 0.0 111.555 -179.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 87.2 t -68.51 -48.23 73.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.394 -179.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.5 mm -60.63 -46.03 96.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.717 0.294 . . . . 0.0 111.3 -179.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.53 -45.47 85.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.824 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.11 -37.57 91.85 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 91.2 mt -63.17 -42.73 97.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 121.075 -0.25 . . . . 0.0 111.351 -179.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 29.7 tp -61.51 -46.71 88.84 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.844 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -71.08 -36.56 72.28 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.01 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.409 HD11 HG23 ' A' ' 29' ' ' ILE . 25.3 mt -65.87 -44.13 92.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 179.446 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.4 tp -64.75 -34.25 77.9 Favored 'General case' 0 N--CA 1.435 -1.178 0 N-CA-C 104.892 -2.262 . . . . 0.0 104.892 176.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.72 -52.22 54.29 Favored Glycine 0 CA--C 1.53 1.029 0 CA-C-N 112.871 -1.968 . . . . 0.0 112.077 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 84.9 mt -66.57 -44.24 90.16 Favored 'Isoleucine or valine' 0 C--O 1.232 0.152 0 CA-C-O 120.657 0.265 . . . . 0.0 110.841 -179.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.425 ' O ' ' OG ' ' A' ' 37' ' ' SER . 95.2 mt -62.19 -45.24 94.25 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.542 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 24.8 mt -60.61 -45.02 98.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.448 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 42.3 t -56.73 -51.97 60.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.054 -178.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 73.3 mt -66.24 -32.14 73.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.877 0.37 . . . . 0.0 110.544 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' A' ' 33' ' ' LEU . 56.4 m -62.24 -35.59 79.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.223 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.6 mtt180 -57.27 -36.45 71.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.747 0.308 . . . . 0.0 110.713 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.0 tpt85 -60.87 -31.91 71.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.528 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 34.0 m -59.72 -38.91 82.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.972 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 90.2 mtt-85 -58.82 -46.7 87.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.939 0.399 . . . . 0.0 110.824 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -79.13 -30.81 43.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.582 -178.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -78.24 -28.26 47.81 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.989 -0.285 . . . . 0.0 111.61 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -65.56 -46.12 80.71 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.437 -179.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 17.0 m120 . . . . . 0 C--N 1.327 -0.373 0 CA-C-O 120.831 0.348 . . . . 0.0 110.852 -179.358 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.663 0.268 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -51.4 -50.77 58.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.564 -179.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.6 t -83.56 -33.32 25.46 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.517 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 tp -79.92 -3.53 48.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.217 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -72.96 -48.76 33.85 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.355 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.7 mm -95.09 -15.4 7.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.254 -179.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.426 ' O ' ' N ' ' A' ' 21' ' ' LEU . . . -47.18 -91.7 0.01 OUTLIER Glycine 0 CA--C 1.528 0.888 0 C-N-CA 121.083 -0.579 . . . . 0.0 111.886 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -35.3 -32.52 0.03 OUTLIER Glycine 0 CA--C 1.528 0.886 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 -179.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 19' ' ' GLY . 8.6 mp -69.05 -51.0 43.46 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -179.235 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 18.4 t -65.73 -50.12 73.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -178.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.417 ' CG2' ' N ' ' A' ' 24' ' ' ALA . 15.7 tt -57.83 -45.33 87.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.636 -179.38 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.417 ' N ' ' CG2' ' A' ' 23' ' ' ILE . . . -57.42 -36.37 71.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.024 0.44 . . . . 0.0 109.949 179.585 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.57 -43.22 99.31 Favored Glycine 0 CA--C 1.527 0.837 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.606 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 11.8 mm -62.55 -42.97 97.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.191 -179.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 27.8 tp -60.35 -48.09 83.26 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 120.673 -0.411 . . . . 0.0 111.547 -178.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -71.72 -36.71 70.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.031 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 32.7 mt -65.71 -45.79 90.92 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.2 tp -64.48 -34.44 78.23 Favored 'General case' 0 N--CA 1.437 -1.104 0 N-CA-C 105.093 -2.188 . . . . 0.0 105.093 176.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.35 -51.87 56.09 Favored Glycine 0 CA--C 1.532 1.104 0 CA-C-N 113.233 -1.803 . . . . 0.0 111.536 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.9 mt -66.85 -44.87 88.71 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.158 0 CA-C-O 120.75 0.309 . . . . 0.0 111.127 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.7 mp -60.56 -46.3 90.7 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 26.1 mt -60.61 -44.83 97.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.464 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 74.2 t -57.1 -51.56 67.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.636 -179.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.3 mt -66.26 -34.2 77.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.709 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.461 ' O ' ' SG ' ' A' ' 40' ' ' CYS . 51.1 m -61.95 -35.92 79.88 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.242 -179.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.4 mmt-85 -57.87 -35.79 71.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.736 0.303 . . . . 0.0 110.797 -179.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -61.84 -27.59 68.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.559 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.586 ' SG ' ' N ' ' A' ' 41' ' ' ARG . 1.0 OUTLIER -62.08 -43.95 97.73 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.036 -179.473 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.586 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 36.9 ttm180 -57.94 -45.04 87.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.785 0.326 . . . . 0.0 110.769 -179.576 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 12.1 m -73.73 -34.56 64.83 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.799 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.7 mttm -77.99 -29.12 49.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.758 -179.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -65.76 -47.11 76.33 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.604 -0.439 . . . . 0.0 111.044 -179.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 . . . . . 0 C--N 1.328 -0.369 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.694 -179.835 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 . . . . . 0 N--CA 1.46 0.027 0 CA-C-O 120.877 0.37 . . . . 0.0 110.143 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -51.17 -52.02 48.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.358 -179.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 83.6 p -82.99 -30.75 27.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.766 0.317 . . . . 0.0 111.419 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 tp -82.13 -3.7 55.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.467 -179.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -74.95 -47.65 28.49 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.979 -0.289 . . . . 0.0 111.261 -179.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 12.8 mm -95.02 -16.97 7.22 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-O 120.705 0.288 . . . . 0.0 111.001 -179.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' A' ' 21' ' ' LEU . . . -44.69 -92.51 0.01 OUTLIER Glycine 0 CA--C 1.528 0.903 0 C-N-CA 121.123 -0.56 . . . . 0.0 111.71 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -35.45 -29.78 0.02 OUTLIER Glycine 0 CA--C 1.526 0.763 0 N-CA-C 112.101 -0.4 . . . . 0.0 112.101 -179.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 19' ' ' GLY . 6.5 mp -70.82 -48.64 53.0 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -179.249 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.7 t -68.33 -49.47 66.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -178.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 12.1 pt -64.2 -39.09 84.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 121.08 -0.248 . . . . 0.0 111.593 -179.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.63 -48.82 79.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.073 0.463 . . . . 0.0 110.695 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.84 -35.81 87.9 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 53.1 mt -62.71 -42.58 96.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.989 -0.284 . . . . 0.0 111.59 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.3 tp -63.49 -48.01 79.39 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 120.839 -0.344 . . . . 0.0 111.132 -179.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.529 ' N ' ' CD1' ' A' ' 28' ' ' PHE . 0.5 OUTLIER -69.46 -37.0 77.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.542 179.63 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 12.1 mt -61.69 -42.75 95.5 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.448 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 mt -64.42 -34.12 77.45 Favored 'General case' 0 N--CA 1.432 -1.356 0 N-CA-C 105.186 -2.153 . . . . 0.0 105.186 175.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.14 -52.2 54.73 Favored Glycine 0 CA--C 1.533 1.214 0 CA-C-N 113.434 -1.712 . . . . 0.0 112.023 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 81.5 mt -64.17 -44.59 97.57 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 O-C-N 122.724 -0.28 . . . . 0.0 111.358 -179.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.3 mt -64.66 -45.92 84.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.137 0.494 . . . . 0.0 109.762 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 34.7 mt -60.46 -44.68 96.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.339 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 54.7 t -56.49 -52.23 55.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.684 -179.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 83.1 mt -66.11 -31.55 72.47 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.712 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 48.7 m -60.53 -35.55 76.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.49 -179.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 16.6 mmm180 -57.49 -36.87 72.06 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 120.084 -0.646 . . . . 0.0 110.38 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 42.6 mtp180 -58.8 -32.77 69.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.538 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.428 ' O ' ' N ' ' A' ' 44' ' ' PHE . 4.0 t -58.7 -46.36 87.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.795 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.6 ttt180 -56.54 -45.16 81.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.716 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.8 m -76.32 -36.14 58.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.017 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 33.0 mttt -76.95 -24.59 52.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.687 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.526 ' CD2' ' OD1' ' A' ' 45' ' ' ASN . 71.6 t80 -65.77 -49.84 66.9 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.314 -0.554 . . . . 0.0 111.189 -178.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.526 ' OD1' ' CD2' ' A' ' 44' ' ' PHE . 17.2 p30 . . . . . 0 N--CA 1.48 1.06 0 O-C-N 124.662 1.226 . . . . 0.0 109.596 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 . . . . . 0 N--CA 1.459 -0.022 0 CA-C-O 120.687 0.279 . . . . 0.0 110.626 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -51.26 -51.71 51.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.364 -179.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 85.4 p -80.63 -34.87 34.66 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.654 -179.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -80.25 -3.27 48.51 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.472 -179.262 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -72.86 -45.57 57.63 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.277 -179.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 13.7 mm -97.56 -19.12 6.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.269 -179.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.491 ' O ' ' N ' ' A' ' 21' ' ' LEU . . . -43.71 -93.91 0.01 OUTLIER Glycine 0 CA--C 1.529 0.925 0 C-N-CA 120.99 -0.624 . . . . 0.0 111.648 -179.399 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -32.89 -31.9 0.01 OUTLIER Glycine 0 CA--C 1.527 0.781 0 O-C-N 123.676 0.28 . . . . 0.0 112.438 -179.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 19' ' ' GLY . 8.5 mp -70.8 -50.82 31.56 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -179.285 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.4 t -67.02 -50.75 61.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 C-N-CA 120.495 -0.482 . . . . 0.0 112.046 -178.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.5 pt -59.2 -39.56 79.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.564 -0.455 . . . . 0.0 110.611 -179.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.43 -37.54 81.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.211 0.529 . . . . 0.0 109.931 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.74 -40.62 98.69 Favored Glycine 0 CA--C 1.524 0.609 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.665 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.6 mm -63.73 -41.64 93.26 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-N 117.125 0.463 . . . . 0.0 111.12 -179.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 27.8 tp -61.3 -48.59 80.68 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.491 -0.484 . . . . 0.0 111.208 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -71.88 -36.64 70.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.515 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.6 mt -67.62 -43.85 86.6 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.256 0 CA-C-O 121.282 0.563 . . . . 0.0 109.511 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.8 tp -65.02 -34.71 79.09 Favored 'General case' 0 N--CA 1.434 -1.247 0 N-CA-C 105.395 -2.076 . . . . 0.0 105.395 176.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.4 -52.42 52.75 Favored Glycine 0 CA--C 1.532 1.152 0 CA-C-N 113.206 -1.815 . . . . 0.0 111.777 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 87.4 mt -63.13 -44.76 99.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 O-C-N 122.627 -0.337 . . . . 0.0 110.892 -179.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.428 ' O ' ' OG ' ' A' ' 37' ' ' SER . 95.7 mt -62.76 -45.06 94.43 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 179.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 18.1 mt -60.6 -44.96 97.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.376 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 86.4 t -56.77 -52.03 59.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.817 -179.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.6 mp -65.96 -33.16 75.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.859 0.361 . . . . 0.0 110.736 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' A' ' 33' ' ' LEU . 55.2 m -61.21 -36.12 79.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.373 -179.427 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.76 -40.13 79.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.697 0.284 . . . . 0.0 110.9 -179.41 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 36.3 ttt180 -58.86 -31.18 68.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.055 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 5.1 t -58.42 -45.56 88.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.377 -179.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 59.5 ttp85 -56.33 -40.03 73.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.926 -179.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.43 -47.48 19.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.137 -179.447 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 36.6 mtpt -60.69 -35.21 75.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.646 -179.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -65.23 -47.88 75.26 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.1 0.408 . . . . 0.0 112.1 -178.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 . . . . . 0 C--N 1.326 -0.435 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.901 -179.553 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 . . . . . 0 N--CA 1.46 0.056 0 CA-C-O 120.63 0.253 . . . . 0.0 110.388 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 93.6 mm-40 -51.48 -52.11 49.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.497 -179.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 84.2 p -83.99 -31.26 25.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.602 -179.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.5 tp -81.24 -3.16 51.52 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.639 -179.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -74.57 -50.11 19.23 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.464 -179.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.406 ' O ' ' O ' ' A' ' 19' ' ' GLY . 13.5 mm -90.31 -22.57 6.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.813 0.339 . . . . 0.0 111.393 -179.138 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.491 ' O ' ' N ' ' A' ' 21' ' ' LEU . . . -39.65 -95.24 0.01 OUTLIER Glycine 0 CA--C 1.528 0.874 0 N-CA-C 111.898 -0.481 . . . . 0.0 111.898 -179.51 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -32.12 -32.26 0.01 OUTLIER Glycine 0 CA--C 1.526 0.774 0 CA-C-N 115.691 -0.255 . . . . 0.0 112.745 -179.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 19' ' ' GLY . 20.3 mt -71.51 -51.05 25.7 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.679 -179.038 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.6 t -65.59 -50.94 68.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 C-N-CA 120.591 -0.444 . . . . 0.0 111.976 -178.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.8 pt -59.09 -42.21 85.84 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.75 -179.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.24 -35.12 73.11 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.248 0.547 . . . . 0.0 109.978 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.57 -39.36 93.87 Favored Glycine 0 CA--C 1.526 0.755 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.84 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.3 mm -64.4 -44.6 97.13 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-N 117.205 0.503 . . . . 0.0 111.409 -178.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.1 tp -61.63 -47.85 83.52 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.118 -178.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -70.23 -37.57 75.02 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.895 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 16.5 mt -63.56 -42.38 95.94 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.513 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 179.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.4 mt -64.61 -33.48 76.02 Favored 'General case' 0 N--CA 1.432 -1.342 0 N-CA-C 104.878 -2.267 . . . . 0.0 104.878 175.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.61 -50.57 62.25 Favored Glycine 0 CA--C 1.531 1.071 0 CA-C-N 113.825 -1.534 . . . . 0.0 111.462 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 33.3 mm -69.47 -44.75 79.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-N 116.929 0.365 . . . . 0.0 111.406 -179.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.428 ' O ' ' OG ' ' A' ' 37' ' ' SER . 95.4 mt -62.65 -47.43 83.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.035 0.445 . . . . 0.0 110.432 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 58.9 mt -60.38 -44.56 96.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.354 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 43.6 t -56.41 -52.42 52.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.778 -179.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 78.6 mt -66.55 -33.07 74.86 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.776 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' A' ' 33' ' ' LEU . 51.1 m -61.89 -37.36 84.29 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.586 -179.524 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.9 ptt-85 -57.53 -31.57 66.21 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.641 -0.423 . . . . 0.0 110.452 -179.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.3 ttp180 -66.01 -31.58 72.55 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.403 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 50.0 m -57.59 -49.61 75.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.023 -179.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 33.1 ttp180 -55.02 -37.98 67.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.783 0.325 . . . . 0.0 110.541 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.2 m -72.45 -40.23 67.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.089 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 38.1 mtmt -77.98 -22.7 49.0 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -179.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.491 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 2.0 m-85 -64.54 -50.36 67.63 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.355 -0.538 . . . . 0.0 111.907 -177.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 44' ' ' PHE . 6.8 m-20 . . . . . 0 N--CA 1.471 0.621 0 CA-C-O 120.981 0.42 . . . . 0.0 110.332 179.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.416 ' O ' ' N ' ' A' ' 17' ' ' GLN . 28.6 m-85 . . . . . 0 CA--C 1.528 0.12 0 CA-C-O 120.812 0.339 . . . . 0.0 110.493 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -51.76 -50.68 60.18 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.476 -179.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 83.9 p -83.61 -30.45 26.92 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.514 -179.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 tp -81.73 -9.25 59.69 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.292 -179.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 13' ' ' TYR . 9.8 mm-40 -68.86 -49.28 59.66 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.332 -179.624 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 13.9 mm -96.37 -8.73 9.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.906 0.384 . . . . 0.0 111.103 -179.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.06 -84.69 0.03 OUTLIER Glycine 0 CA--C 1.528 0.899 0 C-N-CA 121.171 -0.538 . . . . 0.0 111.912 -179.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -41.05 -32.3 0.57 Allowed Glycine 0 CA--C 1.527 0.823 0 N-CA-C 112.262 -0.335 . . . . 0.0 112.262 -178.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.3 mp -68.95 -51.19 42.28 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -178.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 85.6 t -63.0 -49.94 81.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -178.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.8 pt -60.23 -42.22 89.63 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 C-N-CA 120.601 -0.439 . . . . 0.0 111.198 -179.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.24 -34.94 72.82 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.501 -0.48 . . . . 0.0 109.813 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.62 -39.9 95.67 Favored Glycine 0 CA--C 1.528 0.873 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.779 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.7 mm -64.86 -44.38 96.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.277 -0.569 . . . . 0.0 111.509 -179.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.4 tp -61.09 -47.84 84.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.925 0.393 . . . . 0.0 111.237 -178.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -70.96 -37.47 72.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.022 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 21.6 mt -63.53 -43.92 98.5 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.509 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 179.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 mt -64.14 -32.99 74.76 Favored 'General case' 0 N--CA 1.432 -1.347 0 N-CA-C 104.558 -2.386 . . . . 0.0 104.558 175.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.18 -50.86 59.46 Favored Glycine 0 CA--C 1.531 1.042 0 CA-C-N 113.476 -1.693 . . . . 0.0 111.153 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 28.9 mm -70.49 -44.75 76.8 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 116.949 0.374 . . . . 0.0 111.315 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.6 mp -60.95 -48.21 82.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.143 0.497 . . . . 0.0 110.779 -179.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 66.4 mt -60.55 -44.44 96.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.356 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 40.4 t -56.62 -51.06 70.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.474 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.6 tp -66.2 -32.42 73.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.466 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.494 ' O ' ' SG ' ' A' ' 40' ' ' CYS . 11.3 t -62.63 -35.9 81.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.477 -179.632 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 10.9 mmt180 -57.63 -35.87 71.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.198 -179.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.4 mmt85 -63.23 -30.79 71.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.783 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.577 ' SG ' ' N ' ' A' ' 41' ' ' ARG . 1.4 p -58.17 -40.53 81.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.311 -179.457 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.577 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 61.5 ttp85 -61.91 -45.68 92.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.3 -179.376 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.41 -32.74 54.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.402 -179.363 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.1 mmmt -75.22 -33.51 61.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.612 -179.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -66.38 -46.99 74.79 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.608 -179.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.417 0 CA-C-O 120.804 0.335 . . . . 0.0 110.678 -179.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 . . . . . 0 C--O 1.226 -0.173 0 CA-C-O 120.576 0.227 . . . . 0.0 110.555 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -51.4 -49.97 60.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.553 -179.045 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.428 ' HG ' ' N ' ' A' ' 16' ' ' LEU . 83.5 p -84.12 -31.28 25.32 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -179.071 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.428 ' N ' ' HG ' ' A' ' 15' ' ' SER . 2.2 tp -79.02 -3.15 43.71 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -178.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.83 -52.22 13.77 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.436 -179.343 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 8.0 mm -89.85 -16.39 8.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.858 0.361 . . . . 0.0 111.107 -178.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.495 ' O ' ' N ' ' A' ' 21' ' ' LEU . . . -44.67 -94.9 0.01 OUTLIER Glycine 0 CA--C 1.527 0.807 0 N-CA-C 111.645 -0.582 . . . . 0.0 111.645 -179.615 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -34.93 -29.19 0.01 OUTLIER Glycine 0 CA--C 1.525 0.715 0 N-CA-C 112.321 -0.312 . . . . 0.0 112.321 -179.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 19' ' ' GLY . 8.5 mp -72.15 -48.65 41.88 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -179.112 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.3 t -68.36 -50.12 60.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.948 -178.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 13.0 pt -61.82 -38.78 81.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.949 -179.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.89 -42.46 99.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.938 0.399 . . . . 0.0 110.919 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.09 -37.64 94.86 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.556 -0.617 . . . . 0.0 111.556 -179.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.86 -43.54 97.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 C-N-CA 120.889 -0.324 . . . . 0.0 111.341 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 36.6 tp -61.87 -47.25 85.84 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.638 -179.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.408 ' O ' ' N ' ' A' ' 31' ' ' GLY . 6.5 m-85 -67.23 -43.76 81.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.474 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 30.1 mt -58.84 -41.1 81.8 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.381 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 179.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.2 mt -65.02 -34.22 77.91 Favored 'General case' 0 N--CA 1.433 -1.29 0 N-CA-C 104.87 -2.271 . . . . 0.0 104.87 175.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . -58.15 -52.33 53.14 Favored Glycine 0 CA--C 1.534 1.227 0 CA-C-N 113.355 -1.748 . . . . 0.0 112.003 -179.576 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.9 mm -66.72 -44.63 89.38 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 O-C-N 122.562 -0.376 . . . . 0.0 111.07 -179.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.8 mt -63.13 -46.57 86.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.927 0.394 . . . . 0.0 110.057 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.7 mt -60.59 -46.15 96.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.375 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 77.8 t -56.78 -52.24 57.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 C-N-CA 120.776 -0.369 . . . . 0.0 110.871 -179.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.6 mp -66.05 -34.85 79.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.603 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 65.1 m -61.02 -35.87 78.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.844 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.5 mmt-85 -57.42 -41.81 81.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.456 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.7 ttt85 -57.19 -28.43 62.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.054 179.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.7 t -61.0 -46.2 91.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.896 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 69.2 mtp180 -54.83 -40.03 69.16 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.82 0.343 . . . . 0.0 110.855 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.29 -38.97 55.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.885 -179.685 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 50.8 mmtt -73.37 -27.81 61.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.994 -179.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -64.99 -48.12 75.11 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.82 -178.555 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.647 -179.924 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 . . . . . 0 N--CA 1.457 -0.119 0 CA-C-O 120.867 0.365 . . . . 0.0 110.264 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -51.54 -51.97 50.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.491 -179.014 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 79.9 p -82.41 -34.99 28.06 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -178.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.0 tp -77.41 -9.08 58.66 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.972 -0.291 . . . . 0.0 111.518 -178.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -67.59 -51.17 53.51 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.974 -0.291 . . . . 0.0 111.421 -179.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 15.3 mm -94.68 -10.37 9.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.87 0.367 . . . . 0.0 111.009 -179.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -51.22 -81.36 0.05 OUTLIER Glycine 0 CA--C 1.529 0.926 0 N-CA-C 111.832 -0.507 . . . . 0.0 111.832 -179.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -44.41 -29.65 1.82 Allowed Glycine 0 CA--C 1.528 0.851 0 C-N-CA 121.761 -0.257 . . . . 0.0 112.521 -178.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.8 mp -71.77 -47.33 54.29 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -178.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 42.1 t -66.19 -49.2 77.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -178.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 6.1 pt -64.43 -43.95 97.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.525 -179.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.22 -45.58 87.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.931 0.396 . . . . 0.0 110.507 -179.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.59 -40.68 96.69 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 80.1 mt -60.23 -42.31 89.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 111.56 0.207 . . . . 0.0 111.56 -179.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 31.7 tp -61.64 -47.21 86.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.784 0.325 . . . . 0.0 110.729 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -70.98 -36.54 72.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.167 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 7.4 mm -66.88 -43.67 89.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.8 tp -65.18 -34.72 79.06 Favored 'General case' 0 N--CA 1.436 -1.165 0 N-CA-C 105.093 -2.188 . . . . 0.0 105.093 176.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.93 -51.82 56.96 Favored Glycine 0 CA--C 1.529 0.924 0 CA-C-N 112.608 -2.087 . . . . 0.0 112.06 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 72.3 mt -68.19 -45.21 83.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 C-N-CA 121.046 -0.262 . . . . 0.0 110.914 -179.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.429 ' O ' ' OG ' ' A' ' 37' ' ' SER . 92.3 mt -58.42 -46.43 86.5 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.379 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 29.5 mt -60.41 -42.79 92.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.405 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 42.3 t -57.14 -52.62 53.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.493 -178.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.4 mp -66.59 -33.81 76.49 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.164 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.493 ' O ' ' SG ' ' A' ' 40' ' ' CYS . 44.4 m -60.63 -35.71 76.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.133 -179.762 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.9 mmt85 -57.54 -33.82 68.51 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.754 -179.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -65.61 -30.49 71.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.677 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.574 ' SG ' ' N ' ' A' ' 41' ' ' ARG . 1.3 p -57.9 -40.92 81.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 -179.659 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.574 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 10.6 ttm-85 -62.1 -43.87 97.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.802 0.334 . . . . 0.0 110.795 -179.704 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.2 m -78.28 -32.58 49.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 -179.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.0 mmtt -77.34 -30.21 53.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.379 -179.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -66.03 -47.54 74.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.537 -179.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 45.1 t-20 . . . . . 0 C--N 1.328 -0.354 0 CA-C-O 120.852 0.358 . . . . 0.0 110.592 -179.562 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 . . . . . 0 CA--C 1.528 0.125 0 CA-C-O 120.825 0.345 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -54.05 -46.35 71.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.551 -179.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.3 m -84.43 -35.89 22.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.412 -179.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.9 tp -76.66 -15.77 59.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.521 -179.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -60.99 -46.03 92.4 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.292 -179.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -105.28 7.89 9.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.101 -179.586 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.47 -64.15 3.08 Favored Glycine 0 CA--C 1.527 0.8 0 C-N-CA 120.73 -0.748 . . . . 0.0 111.286 -179.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.91 -35.44 86.91 Favored Glycine 0 CA--C 1.53 0.974 0 C-N-CA 121.231 -0.509 . . . . 0.0 112.478 -178.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.3 mp -64.99 -47.68 76.67 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 -178.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 94.7 t -66.5 -44.56 90.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -178.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.0 pt -69.65 -46.59 74.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 C-N-CA 120.463 -0.495 . . . . 0.0 112.131 -178.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.87 -41.63 82.85 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.084 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.67 -41.99 99.68 Favored Glycine 0 CA--C 1.526 0.781 0 N-CA-C 111.395 -0.682 . . . . 0.0 111.395 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.3 tt -62.33 -36.33 74.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.563 -178.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 34.7 tp -64.94 -47.26 78.3 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.434 -0.507 . . . . 0.0 110.176 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -67.96 -36.41 80.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.337 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.6 tt -66.15 -40.72 87.82 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.416 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.1 mt -64.84 -33.97 77.25 Favored 'General case' 0 N--CA 1.431 -1.376 0 N-CA-C 104.382 -2.451 . . . . 0.0 104.382 174.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.76 -50.42 65.74 Favored Glycine 0 CA--C 1.528 0.844 0 CA-C-N 113.565 -1.652 . . . . 0.0 111.652 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 74.1 mt -70.48 -44.42 77.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.643 0.259 . . . . 0.0 111.423 -179.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.49 -46.23 87.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.899 0.38 . . . . 0.0 110.404 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 54.8 mt -60.57 -43.75 95.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.482 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 31.1 t -56.95 -51.06 73.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.896 -179.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.0 mt -66.5 -32.82 74.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.924 0.392 . . . . 0.0 110.605 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 50.3 m -62.47 -35.15 78.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.21 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.06 -35.75 69.71 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.481 -179.438 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.2 mtm180 -65.17 -28.38 69.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.672 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.58 ' SG ' ' N ' ' A' ' 41' ' ' ARG . 0.5 OUTLIER -61.64 -40.85 96.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.263 -179.5 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.58 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 75.1 ttt180 -63.51 -48.6 76.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.77 0.319 . . . . 0.0 111.022 -179.698 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.3 m -72.28 -34.38 68.14 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.936 -179.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -78.29 -26.71 47.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.623 -179.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -68.12 -27.25 66.29 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.963 -0.295 . . . . 0.0 111.418 -178.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.354 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.593 -179.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.419 ' O ' ' N ' ' A' ' 17' ' ' GLN . 22.9 m-85 . . . . . 0 N--CA 1.458 -0.03 0 CA-C-O 120.834 0.35 . . . . 0.0 110.248 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 89.1 mm-40 -51.48 -50.75 59.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.418 -179.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 82.5 p -83.28 -32.23 26.49 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.996 -0.282 . . . . 0.0 111.325 -179.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.0 tp -80.74 -6.83 59.0 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.184 -179.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 13' ' ' TYR . 6.4 mm-40 -68.95 -50.52 48.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.52 -179.491 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 2.3 mt -96.83 -5.52 9.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.587 -0.278 . . . . 0.0 111.597 -178.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.7 -81.68 0.06 OUTLIER Glycine 0 CA--C 1.528 0.894 0 N-CA-C 111.747 -0.541 . . . . 0.0 111.747 -179.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -44.38 -32.35 2.67 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 112.191 -0.364 . . . . 0.0 112.191 -178.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 21.4 mt -69.26 -46.32 67.57 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -178.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 54.7 t -68.34 -49.23 68.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -178.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 6.2 pt -63.99 -41.34 92.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 C-N-CA 120.803 -0.359 . . . . 0.0 111.424 -179.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.46 -43.82 96.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.865 0.364 . . . . 0.0 110.713 -179.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.68 -37.48 94.31 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 82.9 mt -62.01 -43.09 97.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 121.036 -0.266 . . . . 0.0 111.28 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 tt -61.19 -47.22 87.13 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.006 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -70.36 -38.85 74.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.03 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 18.6 mt -59.69 -45.43 94.42 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.493 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.2 mt -64.08 -33.22 75.26 Favored 'General case' 0 N--CA 1.431 -1.389 0 N-CA-C 104.377 -2.453 . . . . 0.0 104.377 175.277 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -55.91 -52.31 49.66 Favored Glycine 0 CA--C 1.534 1.261 0 CA-C-N 113.841 -1.527 . . . . 0.0 111.8 -179.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 12.6 mm -70.49 -44.97 76.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 117.265 0.532 . . . . 0.0 111.54 -179.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.426 ' O ' ' OG ' ' A' ' 37' ' ' SER . 97.0 mt -60.14 -47.08 87.41 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.924 0.393 . . . . 0.0 110.118 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 58.0 mt -60.54 -46.43 95.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.591 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 96.5 t -56.8 -52.07 59.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 120.697 -0.401 . . . . 0.0 111.004 -179.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.9 mp -65.4 -33.36 75.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.808 0.337 . . . . 0.0 110.471 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.426 ' OG ' ' O ' ' A' ' 33' ' ' LEU . 68.8 m -61.6 -36.06 79.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.333 -179.785 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.436 ' NH1' ' NH2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -57.92 -34.24 69.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.956 -179.468 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 75.5 mtp85 -63.35 -29.92 71.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.782 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 60.5 m -59.18 -45.26 91.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.212 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.436 ' NH2' ' NH1' ' A' ' 38' ' ' ARG . 40.5 ttp180 -58.17 -42.64 86.46 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.878 0.371 . . . . 0.0 110.834 -179.7 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.6 m -75.87 -34.67 60.03 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.685 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -77.94 -28.81 49.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.598 -179.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.413 ' CD1' ' C ' ' A' ' 44' ' ' PHE . 24.8 t80 -65.77 -47.46 75.12 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.619 -178.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.421 ' OD1' ' O ' ' A' ' 41' ' ' ARG . 5.4 p30 . . . . . 0 C--N 1.327 -0.376 0 CA-C-O 120.808 0.337 . . . . 0.0 110.808 -179.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 . . . . . 0 N--CA 1.46 0.068 0 CA-C-O 120.809 0.338 . . . . 0.0 110.432 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 46.0 mm-40 -51.93 -51.47 56.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.508 -179.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 83.6 p -83.14 -32.88 26.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.78 0.324 . . . . 0.0 111.533 -179.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.8 tp -79.77 -7.9 58.93 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.46 -178.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -68.58 -52.87 26.98 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.921 -0.312 . . . . 0.0 111.057 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -94.12 -2.0 10.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.058 -179.427 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -53.58 -99.59 0.01 OUTLIER Glycine 0 CA--C 1.529 0.91 0 N-CA-C 111.823 -0.511 . . . . 0.0 111.823 -179.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -38.84 -35.08 0.32 Allowed Glycine 0 CA--C 1.527 0.827 0 N-CA-C 112.199 -0.361 . . . . 0.0 112.199 -179.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.0 mp -57.61 -51.23 70.34 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.629 -0.429 . . . . 0.0 110.922 -179.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 73.2 t -67.42 -49.39 71.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.3 -179.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.3 mm -56.8 -46.27 83.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.883 -179.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.8 -38.07 74.87 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.537 -0.465 . . . . 0.0 109.768 179.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.0 -42.24 96.81 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.486 -0.645 . . . . 0.0 111.486 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.6 mm -64.52 -44.6 96.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 C-N-CA 120.546 -0.462 . . . . 0.0 111.49 -179.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 24.8 tp -57.11 -47.19 81.69 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.565 -0.454 . . . . 0.0 111.387 -178.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -71.63 -36.76 70.86 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.35 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 34.9 mt -65.25 -45.83 92.49 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.326 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.8 tp -64.68 -34.39 78.18 Favored 'General case' 0 N--CA 1.437 -1.094 0 N-CA-C 104.746 -2.316 . . . . 0.0 104.746 176.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.92 -49.96 67.47 Favored Glycine 0 CA--C 1.532 1.096 0 CA-C-N 113.363 -1.744 . . . . 0.0 111.203 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 75.8 mt -70.35 -44.95 77.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.638 0.256 . . . . 0.0 111.391 -179.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.33 -46.35 90.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.076 0.465 . . . . 0.0 109.877 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.4 mt -59.97 -46.11 94.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.414 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 56.0 t -56.81 -52.26 57.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.851 -179.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 79.4 mt -66.25 -33.88 76.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.531 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.498 ' O ' ' SG ' ' A' ' 40' ' ' CYS . 59.7 m -61.91 -35.28 77.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.278 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.7 mmt180 -56.86 -31.84 65.21 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.618 -179.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.673 HH12 ' NZ ' ' A' ' 43' ' ' LYS . 19.6 mtp-105 -67.13 -31.73 72.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.642 179.763 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.516 ' SG ' ' N ' ' A' ' 41' ' ' ARG . 1.7 p -57.93 -38.17 75.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.488 -179.648 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.516 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 37.1 ttp180 -63.45 -43.92 96.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.624 0.25 . . . . 0.0 111.306 -179.586 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 21.7 m -75.12 -38.97 60.93 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.284 -179.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.673 ' NZ ' HH12 ' A' ' 39' ' ' ARG . 39.7 mtmt -72.85 -23.13 60.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.808 -179.2 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.478 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 49.5 t80 -67.53 -48.72 66.2 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.351 -0.54 . . . . 0.0 112.187 -178.406 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.478 ' CB ' ' O ' ' A' ' 44' ' ' PHE . 0.8 OUTLIER . . . . . 0 N--CA 1.475 0.795 0 O-C-N 123.724 0.64 . . . . 0.0 110.054 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.457 ' O ' ' N ' ' A' ' 17' ' ' GLN . 53.0 m-85 . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.638 0.256 . . . . 0.0 110.506 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -51.43 -52.36 46.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.771 -179.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 93.3 p -83.13 -32.19 26.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.795 0.331 . . . . 0.0 110.973 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 tp -79.69 -3.06 45.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.002 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 13' ' ' TYR . 18.2 tt0 -76.89 -42.51 39.51 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.439 -179.338 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.424 ' O ' ' O ' ' A' ' 19' ' ' GLY . 0.3 OUTLIER -102.99 -16.65 7.41 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 CA-C-O 120.772 0.32 . . . . 0.0 111.146 -178.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.52 ' O ' ' N ' ' A' ' 21' ' ' LEU . . . -42.29 -98.03 0.01 OUTLIER Glycine 0 CA--C 1.527 0.788 0 C-N-CA 121.257 -0.497 . . . . 0.0 111.922 -179.114 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -35.58 -26.92 0.01 OUTLIER Glycine 0 CA--C 1.525 0.706 0 N-CA-C 112.226 -0.35 . . . . 0.0 112.226 -179.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.52 ' N ' ' O ' ' A' ' 19' ' ' GLY . 2.9 mp -68.6 -51.46 42.17 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.105 -179.688 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.4 t -68.4 -49.76 63.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.196 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 36.7 mm -55.45 -45.05 78.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-O 120.913 0.387 . . . . 0.0 110.367 -179.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.67 -37.68 76.55 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.885 179.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.94 -37.92 95.33 Favored Glycine 0 CA--C 1.528 0.874 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.046 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 12.6 mm -66.87 -44.65 88.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 C-N-CA 120.317 -0.553 . . . . 0.0 111.519 -179.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 34.2 tp -60.69 -47.87 84.35 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 120.82 0.343 . . . . 0.0 111.37 -178.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -69.55 -38.06 77.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.79 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.9 mt -60.73 -43.69 95.68 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.704 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 mp -63.85 -33.44 75.69 Favored 'General case' 0 N--CA 1.432 -1.372 0 N-CA-C 104.914 -2.254 . . . . 0.0 104.914 175.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.19 -50.64 60.84 Favored Glycine 0 CA--C 1.531 1.053 0 CA-C-N 114.223 -1.353 . . . . 0.0 111.559 -179.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.8 mm -70.12 -44.48 78.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.951 0.375 . . . . 0.0 111.576 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.4 mt -63.65 -47.92 79.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.057 0.456 . . . . 0.0 110.736 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 72.6 mt -60.37 -44.82 96.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.615 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 40.5 t -56.44 -52.2 55.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.546 -179.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 83.0 mt -66.27 -31.85 72.91 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.346 179.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.1 t -61.46 -37.04 82.15 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.144 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.9 mtt85 -57.76 -40.1 78.97 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.644 -179.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 71.7 mtt85 -57.53 -28.35 63.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.6 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 30.8 m -61.03 -49.27 78.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.048 -179.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.8 mtm180 -54.8 -38.84 67.8 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.808 -179.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.3 m -77.03 -38.02 53.7 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.706 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -76.09 -27.68 57.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.455 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -65.25 -48.44 73.24 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.779 -0.368 . . . . 0.0 111.652 -178.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 . . . . . 0 C--N 1.326 -0.454 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.685 -179.885 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 . . . . . 0 C--O 1.227 -0.092 0 CA-C-O 120.513 0.197 . . . . 0.0 110.77 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -51.08 -46.48 61.77 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.769 -178.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 74.5 p -83.91 -32.39 25.16 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -178.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.1 tp -79.17 -12.0 59.98 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -178.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -64.25 -52.46 58.58 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.543 -0.463 . . . . 0.0 111.143 -179.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 10.7 mm -93.24 -11.8 9.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.969 0.414 . . . . 0.0 110.948 -179.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -43.48 -96.91 0.01 OUTLIER Glycine 0 CA--C 1.531 1.056 0 C-N-CA 121.398 -0.43 . . . . 0.0 112.254 -179.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -39.69 -37.14 0.84 Allowed Glycine 0 CA--C 1.528 0.896 0 N-CA-C 112.632 -0.187 . . . . 0.0 112.632 -178.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.1 mp -54.74 -50.71 67.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 117.117 0.458 . . . . 0.0 111.012 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 58.9 t -67.5 -49.07 74.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.421 -179.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.3 mm -56.86 -46.26 83.53 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.167 0 CA-C-O 120.889 0.376 . . . . 0.0 110.778 -179.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.36 -34.99 76.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.982 0.42 . . . . 0.0 110.293 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.75 -41.45 97.61 Favored Glycine 0 CA--C 1.526 0.735 0 CA-C-N 115.793 -0.639 . . . . 0.0 112.296 -179.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -69.37 -38.93 78.22 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 CA-C-N 117.543 0.671 . . . . 0.0 112.125 -178.489 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.2 tt -64.46 -47.7 78.03 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.036 0.446 . . . . 0.0 111.332 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -71.48 -37.27 71.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.109 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 12.1 mt -61.3 -47.17 94.71 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.794 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 178.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.4 mt -59.76 -33.44 71.67 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 105.09 -2.189 . . . . 0.0 105.09 175.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.34 -48.86 72.31 Favored Glycine 0 CA--C 1.53 1.017 0 CA-C-N 114.285 -1.325 . . . . 0.0 111.219 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 87.5 mt -70.39 -45.03 76.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -179.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.429 ' O ' ' OG ' ' A' ' 37' ' ' SER . 85.0 mt -63.73 -44.84 92.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.172 0.511 . . . . 0.0 110.286 -179.659 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 48.9 mt -60.29 -46.23 95.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.476 -179.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 52.9 t -56.69 -52.0 59.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.796 -179.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 78.1 mt -66.23 -33.0 74.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.599 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.429 ' OG ' ' O ' ' A' ' 33' ' ' LEU . 52.3 m -64.28 -35.82 82.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.163 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -57.34 -33.0 67.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.641 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 23.4 ttt180 -64.96 -29.38 70.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.674 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 48.5 m -59.08 -48.36 81.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.529 -179.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 49.6 ttm-85 -55.23 -43.06 74.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.033 -179.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -78.97 -31.87 45.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.092 -179.358 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.6 mmtm -78.58 -28.01 45.75 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.46 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 2.5 m-85 -65.75 -49.84 66.92 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.37 -0.532 . . . . 0.0 112.101 -178.116 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 44' ' ' PHE . 11.7 m-20 . . . . . 0 N--CA 1.478 0.951 0 O-C-N 123.889 0.743 . . . . 0.0 110.165 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.8 m -132.76 58.71 37.84 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.699 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -70.9 -18.44 31.63 Favored 'Trans proline' 0 C--N 1.307 -1.652 0 C-N-CA 122.663 2.242 . . . . 0.0 112.046 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -74.64 -30.78 61.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.545 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.6 tp10 -55.97 -34.81 66.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.464 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -62.95 -37.34 86.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.05 161.16 64.01 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.66 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.422 ' O ' ' O ' ' A' ' 11' ' ' TYR . 46.5 Cg_endo -70.74 -13.67 32.39 Favored 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 122.495 2.13 . . . . 0.0 112.183 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -48.7 -42.53 35.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.747 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 97.0 m -65.19 -26.75 68.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.852 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.422 ' O ' ' O ' ' A' ' 8' ' ' PRO . 96.8 m-85 -102.99 137.02 41.74 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.955 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 54.7 p30 -85.23 -0.3 54.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.275 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -84.29 32.13 0.5 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.61 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -51.46 -48.24 62.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 82.4 p -84.52 -32.36 23.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 112.025 -179.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 tp -80.69 -4.05 52.93 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -178.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -73.75 -47.09 41.75 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.62 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 13.9 mm -95.96 -27.38 4.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 120.674 0.273 . . . . 0.0 111.396 -179.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -37.51 -81.88 0.02 OUTLIER Glycine 0 CA--C 1.528 0.896 0 CA-C-N 116.168 -0.469 . . . . 0.0 112.128 -179.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -42.36 -37.84 2.62 Favored Glycine 0 CA--C 1.529 0.913 0 N-CA-C 112.22 -0.352 . . . . 0.0 112.22 -179.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.7 mt -65.44 -44.2 88.07 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -178.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 18.3 t -68.32 -49.28 68.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -178.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.3 pt -65.0 -41.77 92.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 120.976 -0.29 . . . . 0.0 111.517 -178.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.14 -45.07 94.28 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.193 0.52 . . . . 0.0 110.224 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.92 -36.2 93.1 Favored Glycine 0 CA--C 1.525 0.665 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.61 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -65.65 -36.05 76.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.415 -0.514 . . . . 0.0 110.867 -179.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.7 tp -64.87 -47.37 78.11 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.48 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -71.13 -36.39 72.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.465 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.4 HG23 HD12 ' A' ' 29' ' ' ILE . 30.6 mt -65.19 -44.99 95.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 179.264 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.6 tp -64.77 -34.28 77.98 Favored 'General case' 0 N--CA 1.436 -1.161 0 N-CA-C 105.27 -2.122 . . . . 0.0 105.27 176.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.5 -52.35 53.62 Favored Glycine 0 CA--C 1.531 1.034 0 CA-C-N 113.15 -1.841 . . . . 0.0 111.544 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 87.7 mt -63.96 -44.59 97.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.608 0.242 . . . . 0.0 111.161 -179.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.415 ' O ' ' OG ' ' A' ' 37' ' ' SER . 96.4 mt -63.62 -44.27 94.41 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 179.497 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 23.5 mt -61.03 -45.75 97.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.247 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 49.3 t -57.05 -52.16 59.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.108 -179.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 76.8 mt -66.36 -32.28 73.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.636 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.446 ' O ' ' SG ' ' A' ' 40' ' ' CYS . 73.6 m -61.26 -35.84 78.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.563 -179.374 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -57.2 -34.15 68.24 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.572 -179.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 44.7 mmt-85 -63.34 -31.25 72.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.458 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.58 ' SG ' ' N ' ' A' ' 41' ' ' ARG . 0.8 OUTLIER -59.57 -39.27 83.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.704 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.58 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 76.6 mtt-85 -62.58 -45.47 92.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.053 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 7.8 m -79.0 -33.55 44.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.055 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -72.94 -30.28 63.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.379 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.497 ' CE2' ' CG2' ' A' ' 59' ' ' THR . 6.9 t80 -65.59 -47.25 76.38 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.049 0.388 . . . . 0.0 112.049 -178.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -76.41 108.59 9.49 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.574 -0.45 . . . . 0.0 111.011 -179.306 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.414 ' O ' ' O ' ' A' ' 49' ' ' ARG . 56.2 tt0 -58.51 -31.5 67.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.978 179.334 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -62.0 -40.18 94.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.49 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -70.67 -45.55 64.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.722 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.414 ' O ' ' O ' ' A' ' 46' ' ' GLN . 15.9 mmt85 -133.79 149.79 51.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.769 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 36.6 m -57.57 -33.4 68.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.637 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -50.45 148.11 7.4 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.62 157.56 35.11 Favored Pre-proline 0 C--N 1.328 -0.329 0 N-CA-C 110.351 -0.24 . . . . 0.0 110.351 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -36.76 151.06 0.04 OUTLIER 'Trans proline' 0 C--N 1.313 -1.317 0 C-N-CA 122.577 2.185 . . . . 0.0 112.27 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.485 ' C ' ' H ' ' A' ' 56' ' ' GLU . 0.8 OUTLIER -164.49 169.67 16.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.693 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.525 ' C ' ' H ' ' A' ' 57' ' ' GLU . 3.5 tp10 68.17 -6.56 0.74 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.6 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.485 ' H ' ' C ' ' A' ' 54' ' ' ASP . 86.3 mt-10 56.83 4.19 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.451 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.525 ' H ' ' C ' ' A' ' 55' ' ' GLU . 93.8 mt-10 -74.11 -65.65 0.82 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.342 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.498 ' C ' ' H ' ' A' ' 60' ' ' PHE . . . 72.69 -157.23 52.49 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.497 ' CG2' ' CE2' ' A' ' 44' ' ' PHE . 5.2 p -73.57 41.12 0.11 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.923 0.392 . . . . 0.0 110.017 179.526 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.498 ' H ' ' C ' ' A' ' 58' ' ' GLY . 81.4 t80 -68.7 -44.27 74.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.878 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 85.8 mtt-85 -60.52 -32.13 71.17 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.465 -0.788 . . . . 0.0 109.565 178.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.8 m -60.67 -32.9 72.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.326 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 p -63.75 -28.92 70.21 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 29.6 mt -68.18 -32.97 58.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.246 179.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.422 ' O ' ' OG ' ' A' ' 68' ' ' SER . 64.1 mtm180 -57.87 -30.89 66.18 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.502 ' O ' ' N ' ' A' ' 70' ' ' ARG . 69.8 mtm180 -55.82 -34.32 65.26 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 178.217 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.9 tp -56.34 -22.73 32.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.898 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.643 ' HG ' ' N ' ' A' ' 69' ' ' THR . 85.3 p -72.0 -48.1 47.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.779 -179.145 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.643 ' N ' ' HG ' ' A' ' 68' ' ' SER . 77.6 p -106.15 -39.55 5.92 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.805 0.336 . . . . 0.0 111.165 -179.433 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 66' ' ' ARG . 83.2 mtp180 55.26 -126.4 2.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.113 -0.494 . . . . 0.0 112.006 179.419 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 70.4 ttt-85 -53.66 141.65 25.53 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 121.105 0.478 . . . . 0.0 111.65 -178.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 61.4 ttt180 . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.547 179.685 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.622 ' HG ' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -136.55 162.5 55.8 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.422 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.556 ' N ' ' HG ' ' A' ' 2' ' ' SER . 42.8 Cg_endo -70.04 -22.15 31.2 Favored 'Trans proline' 0 C--N 1.309 -1.544 0 C-N-CA 122.596 2.197 . . . . 0.0 112.188 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.622 ' H ' ' HG ' ' A' ' 2' ' ' SER . 28.9 mmtm -74.84 -21.1 59.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.65 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -99.09 151.57 20.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.612 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -110.39 148.77 31.34 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.424 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -130.56 161.43 60.86 Favored Pre-proline 0 CA--C 1.529 0.145 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.472 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' A' ' 11' ' ' TYR . 44.6 Cg_endo -70.3 -7.29 20.88 Favored 'Trans proline' 0 N--CA 1.492 1.438 0 C-N-CA 122.58 2.187 . . . . 0.0 112.221 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -48.42 -33.03 8.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.617 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 33.5 m -50.1 -41.02 47.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.644 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.41 ' O ' ' O ' ' A' ' 8' ' ' PRO . 68.1 m-85 -128.96 138.65 52.1 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.501 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -109.35 90.65 3.36 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.669 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -92.93 30.96 1.48 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.372 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -51.98 -49.79 62.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.103 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 83.7 p -84.53 -32.73 23.73 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.826 -0.349 . . . . 0.0 111.275 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 tp -79.07 -5.55 54.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.301 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -72.83 -53.34 11.74 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.871 -0.332 . . . . 0.0 111.22 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.404 ' O ' ' O ' ' A' ' 19' ' ' GLY . 0.3 OUTLIER -91.22 -4.95 10.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.806 0.336 . . . . 0.0 111.369 -179.279 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 21' ' ' LEU . . . -51.08 -105.34 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 C-N-CA 121.194 -0.527 . . . . 0.0 111.844 -179.419 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -33.51 -32.52 0.01 OUTLIER Glycine 0 CA--C 1.528 0.886 0 CA-C-N 115.612 -0.294 . . . . 0.0 112.714 -178.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 19' ' ' GLY . 28.6 mt -63.91 -51.03 66.39 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.919 -179.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 78.1 t -67.81 -49.65 67.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.861 -0.336 . . . . 0.0 111.063 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.9 mm -57.65 -45.95 86.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.525 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.42 -37.37 72.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.057 0.456 . . . . 0.0 110.028 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.37 -41.1 99.44 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.395 -0.682 . . . . 0.0 111.395 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.6 mm -64.52 -44.44 96.89 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.151 0 C-N-CA 120.385 -0.526 . . . . 0.0 111.319 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 30.4 tp -58.14 -47.82 82.14 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 120.654 0.264 . . . . 0.0 111.538 -178.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.403 ' O ' ' N ' ' A' ' 31' ' ' GLY . 17.2 m-85 -70.54 -41.12 72.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.766 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.9 mt -58.7 -44.75 90.6 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.377 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.8 mp -63.76 -33.63 76.08 Favored 'General case' 0 N--CA 1.434 -1.268 0 N-CA-C 104.511 -2.403 . . . . 0.0 104.511 175.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . -56.33 -51.48 55.87 Favored Glycine 0 CA--C 1.533 1.182 0 CA-C-N 113.669 -1.605 . . . . 0.0 111.937 -179.381 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 15.4 mm -70.51 -44.71 76.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 116.86 0.33 . . . . 0.0 111.333 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.9 mt -61.01 -46.18 91.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.173 0.511 . . . . 0.0 110.031 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.3 mt -60.21 -44.67 95.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.824 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 34.4 t -59.5 -52.92 55.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 N-CA-C 112.138 0.422 . . . . 0.0 112.138 -178.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.2 mp -66.63 -31.84 72.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.951 0.405 . . . . 0.0 110.271 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.49 ' O ' ' SG ' ' A' ' 40' ' ' CYS . 21.8 m -60.77 -35.82 77.4 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.346 -179.462 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -57.13 -37.08 71.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.853 0.359 . . . . 0.0 110.535 -179.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 52.6 ttt85 -60.45 -29.38 68.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.414 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.574 ' SG ' ' N ' ' A' ' 41' ' ' ARG . 0.8 OUTLIER -59.86 -40.78 89.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.968 -179.816 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.574 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 56.5 ttt85 -61.22 -44.84 96.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.83 0.348 . . . . 0.0 110.485 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.3 m -72.75 -46.18 54.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.576 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.402 ' NZ ' ' O ' ' A' ' 52' ' ' GLU . 13.2 tttm -67.09 -27.63 67.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.158 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -66.29 -45.52 80.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.396 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -79.23 110.63 14.69 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.533 -179.694 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -59.41 -34.52 72.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.431 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -58.4 -42.45 87.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.74 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 38.3 tp60 -67.99 -47.21 69.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.606 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 57.0 mtt180 -146.85 140.58 25.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.456 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 70.1 p -90.33 148.26 22.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.503 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 153.36 -153.25 24.72 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.402 ' O ' ' NZ ' ' A' ' 43' ' ' LYS . 3.1 mp0 -109.27 101.89 47.12 Favored Pre-proline 0 CA--C 1.542 0.657 0 CA-C-O 119.373 -0.346 . . . . 0.0 110.46 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_exo -54.13 149.8 34.42 Favored 'Trans proline' 0 N--CA 1.495 1.607 0 C-N-CA 121.612 1.541 . . . . 0.0 111.968 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -67.34 144.55 55.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.462 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.41 ' O ' ' CB ' ' A' ' 56' ' ' GLU . 96.6 mt-10 -56.0 143.14 33.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.73 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' A' ' 57' ' ' GLU . 9.8 tt0 75.47 20.15 2.0 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.593 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' A' ' 56' ' ' GLU . 95.4 mt-10 53.94 168.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.62 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.501 ' C ' ' H ' ' A' ' 60' ' ' PHE . . . -115.35 -17.29 6.71 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 12.1 t -74.62 18.65 0.16 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.703 0.287 . . . . 0.0 110.713 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.501 ' H ' ' C ' ' A' ' 58' ' ' GLY . 80.1 t80 -69.1 -43.88 73.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.482 0.658 . . . . 0.0 109.287 179.485 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 43.6 mtp85 -63.7 -31.89 73.21 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.699 -1.137 . . . . 0.0 110.379 179.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 58.1 m -59.76 -32.29 70.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.173 -179.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.0 m -63.69 -25.67 68.31 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.4 tt -62.7 -31.96 53.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.354 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 63.8 ttt-85 -57.43 -30.47 65.02 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.65 HH12 ' NH1' ' A' ' 70' ' ' ARG . 19.4 ptt85 -55.91 -34.62 65.74 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 178.316 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.8 tp -57.28 -22.75 43.76 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.103 178.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.0 t -72.21 -48.53 42.27 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.765 -178.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.424 ' O ' ' O ' ' A' ' 72' ' ' ARG . 0.1 OUTLIER -106.42 -39.56 5.85 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.742 0.306 . . . . 0.0 111.303 -179.387 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.65 ' NH1' HH12 ' A' ' 66' ' ' ARG . 0.0 OUTLIER -57.75 -69.5 0.17 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.759 0.314 . . . . 0.0 110.783 -179.813 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 58.1 ttt85 -41.69 -36.93 1.07 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.446 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.424 ' O ' ' O ' ' A' ' 69' ' ' THR . 56.2 ttt180 . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.683 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.508 ' N ' ' OE2' ' A' ' 5' ' ' GLU . 96.3 mt-10 . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.426 ' H ' ' H1 ' ' A' ' 1' ' ' GLU . 0.3 OUTLIER -101.61 162.51 20.2 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.481 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -69.82 -7.52 21.29 Favored 'Trans proline' 0 C--N 1.309 -1.528 0 C-N-CA 122.566 2.177 . . . . 0.0 112.146 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 57.2 mmtt -74.83 -10.28 59.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.576 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.508 ' OE2' ' N ' ' A' ' 1' ' ' GLU . 95.9 mt-10 -72.85 139.12 46.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.463 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -98.3 1.24 46.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.703 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.23 161.2 33.57 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.602 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.514 ' CG ' HE22 ' A' ' 14' ' ' GLN . 56.4 Cg_endo -71.67 -23.55 22.77 Favored 'Trans proline' 0 N--CA 1.494 1.514 0 C-N-CA 122.657 2.238 . . . . 0.0 112.284 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -48.03 -21.73 0.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.623 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 34.9 m -56.88 -31.63 65.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.664 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -106.31 138.94 41.59 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.747 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.516 ' C ' ' H ' ' A' ' 14' ' ' GLN . 84.4 m-20 -69.11 -20.8 64.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.631 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -73.67 32.57 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.793 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.516 ' H ' ' C ' ' A' ' 12' ' ' ASP . 71.0 tp60 -51.46 -52.13 49.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.035 -179.486 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 83.7 p -83.81 -30.72 26.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.405 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 tp -82.14 -3.35 54.68 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.435 -179.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.519 ' NE2' ' O ' ' A' ' 17' ' ' GLN . 19.7 tp60 -77.48 -45.26 26.18 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.236 -179.575 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.429 ' CG2' ' O ' ' A' ' 18' ' ' ILE . 42.4 mm -100.31 -5.0 9.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.668 0.271 . . . . 0.0 111.111 -179.526 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 21' ' ' LEU . . . -50.02 -99.43 0.01 OUTLIER Glycine 0 CA--C 1.528 0.9 0 C-N-CA 121.206 -0.521 . . . . 0.0 111.955 -179.412 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -36.32 -29.3 0.02 OUTLIER Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.961 -0.455 . . . . 0.0 111.961 -179.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 19' ' ' GLY . 3.4 mp -62.26 -51.43 67.76 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.871 -0.332 . . . . 0.0 111.072 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.1 t -69.32 -49.48 60.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.068 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 79.3 mt -58.49 -46.28 89.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.942 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.77 -45.6 82.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.99 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.48 -35.44 91.07 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 111.504 -0.638 . . . . 0.0 111.504 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 83.9 mt -64.33 -44.46 97.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -178.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 54.7 mt -63.62 -47.55 80.94 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.824 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -66.73 -39.17 87.85 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.829 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 18.5 mt -63.94 -41.13 91.53 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.365 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.0 mt -64.7 -33.97 77.22 Favored 'General case' 0 N--CA 1.435 -1.196 0 N-CA-C 104.902 -2.258 . . . . 0.0 104.902 175.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.95 -52.23 52.42 Favored Glycine 0 CA--C 1.531 1.088 0 CA-C-N 113.184 -1.825 . . . . 0.0 111.699 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 31.9 mm -66.01 -44.84 92.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.225 0 O-C-N 122.575 -0.368 . . . . 0.0 111.333 -179.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 91.1 mt -63.6 -44.25 94.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.052 0.454 . . . . 0.0 110.1 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 32.0 mt -60.69 -47.74 91.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.371 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 41.2 t -56.87 -52.68 52.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.164 -179.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 82.9 mt -66.29 -33.83 76.62 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.744 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 73.5 m -61.54 -36.63 81.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.304 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -57.5 -37.25 72.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.873 0.368 . . . . 0.0 110.83 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.536 ' CZ ' ' HZ3' ' A' ' 43' ' ' LYS . 56.7 ttt180 -59.61 -27.59 66.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.595 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 35.4 m -60.33 -44.7 95.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.987 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -56.96 -41.44 78.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.559 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.57 -36.37 57.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.536 ' HZ3' ' CZ ' ' A' ' 39' ' ' ARG . 66.4 mttt -76.73 -30.31 56.57 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.52 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.601 ' CE2' ' ND2' ' A' ' 45' ' ' ASN . 39.0 t80 -65.25 -48.47 73.15 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.62 -178.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.601 ' ND2' ' CE2' ' A' ' 44' ' ' PHE . 65.8 m-20 -146.1 87.04 1.72 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.747 0.308 . . . . 0.0 110.639 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -68.29 -20.71 64.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.216 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -59.9 -39.44 85.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.696 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -55.89 -40.32 72.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.905 0.383 . . . . 0.0 110.297 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -64.54 -30.86 71.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.289 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 34.3 m -79.93 150.5 30.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.666 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 78.61 -127.19 7.95 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.51 ' N ' ' OE1' ' A' ' 52' ' ' GLU . 3.7 pm0 -109.38 101.79 47.01 Favored Pre-proline 0 CA--C 1.54 0.596 0 CA-C-O 119.401 -0.333 . . . . 0.0 110.353 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -54.66 144.96 62.07 Favored 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 121.527 1.484 . . . . 0.0 112.022 179.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 59.0 p30 -162.71 -179.5 6.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.571 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.523 ' H ' ' CD ' ' A' ' 55' ' ' GLU . 45.7 mp0 -54.57 -94.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.463 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 40.51 65.65 0.74 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.718 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -54.76 148.22 13.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.665 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -158.1 -38.51 0.02 OUTLIER Glycine 0 CA--C 1.527 0.805 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.66 ' N ' ' HG ' ' A' ' 62' ' ' SER . 0.4 OUTLIER -66.33 161.97 21.25 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -69.46 -38.64 77.84 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 179.091 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.9 mmt85 -71.16 -32.64 69.17 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.395 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.66 ' HG ' ' N ' ' A' ' 59' ' ' THR . 86.9 p -60.35 -32.65 71.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.175 -179.237 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.525 ' HG ' ' NE ' ' A' ' 66' ' ' ARG . 14.2 t -63.57 -26.17 68.57 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.3 tp -62.63 -32.29 54.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.125 179.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 25.9 mtp180 -57.48 -29.95 64.68 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.527 ' O ' ' N ' ' A' ' 70' ' ' ARG . 80.7 mtm180 -54.92 -34.89 63.6 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.346 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.474 ' N ' ' CD1' ' A' ' 67' ' ' LEU . 9.3 mp -61.93 -22.48 65.64 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.723 179.474 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.0 t -68.1 -48.56 65.14 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.971 -0.292 . . . . 0.0 111.487 -179.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 86.4 m -104.53 -38.09 6.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.094 0.473 . . . . 0.0 110.504 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.527 ' N ' ' O ' ' A' ' 66' ' ' ARG . 68.3 ttt180 -107.7 100.64 10.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.515 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 47.4 mtm180 -90.91 -125.55 0.08 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.731 0.3 . . . . 0.0 110.718 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 118.069 -0.967 . . . . 0.0 110.636 -179.786 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.77 162.54 53.89 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.525 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -69.68 -14.76 36.81 Favored 'Trans proline' 0 C--N 1.31 -1.481 0 C-N-CA 122.518 2.145 . . . . 0.0 112.183 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -74.51 -29.74 61.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.508 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -60.63 -33.92 73.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.324 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 73.0 m80 -82.31 22.48 0.83 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.434 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.43 -51.6 49.95 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.422 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -79.44 81.73 2.7 Favored 'Trans proline' 0 C--N 1.313 -1.313 0 C-N-CA 121.917 1.745 . . . . 0.0 112.229 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.522 ' CE1' ' OD1' ' A' ' 12' ' ' ASP . 36.1 p90 -110.02 136.63 48.98 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.514 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.8 m -75.11 -43.46 52.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.632 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -134.92 153.08 52.2 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.54 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.522 ' OD1' ' CE1' ' A' ' 9' ' ' PHE . 96.4 m-20 -99.14 -19.01 17.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.612 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.423 ' O ' ' N ' ' A' ' 17' ' ' GLN . 58.0 m-85 -88.96 32.75 0.8 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.527 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -51.7 -50.28 60.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.275 -179.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 83.0 p -84.28 -34.64 23.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.575 -179.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 tp -77.53 -14.12 59.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.626 -179.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 13' ' ' TYR . 26.9 tt0 -66.03 -49.68 66.88 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.909 -0.316 . . . . 0.0 111.402 -179.451 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 6.4 mt -93.85 -12.68 8.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.862 0.363 . . . . 0.0 111.161 -179.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -44.37 -96.44 0.01 OUTLIER Glycine 0 CA--C 1.528 0.847 0 C-N-CA 121.232 -0.508 . . . . 0.0 111.933 -179.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -37.01 -35.78 0.15 Allowed Glycine 0 CA--C 1.528 0.898 0 N-CA-C 112.133 -0.387 . . . . 0.0 112.133 -178.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.3 mt -58.8 -50.27 74.58 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 122.615 -0.344 . . . . 0.0 111.613 -179.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 73.4 t -69.22 -47.1 75.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.679 0.276 . . . . 0.0 111.599 -179.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 81.7 mt -62.44 -46.25 96.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.599 -178.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.95 -44.15 94.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.984 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.67 -36.39 91.53 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 64.8 mt -63.73 -43.98 98.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.358 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 31.7 tp -60.53 -46.92 88.4 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.653 0.263 . . . . 0.0 110.871 -179.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -68.76 -36.72 78.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.728 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.411 HD11 HG22 ' A' ' 29' ' ' ILE . 19.4 mt -64.53 -44.15 96.87 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 179.365 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.1 tp -64.77 -34.42 78.3 Favored 'General case' 0 N--CA 1.437 -1.085 0 N-CA-C 104.756 -2.313 . . . . 0.0 104.756 176.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.63 -51.77 55.92 Favored Glycine 0 CA--C 1.532 1.126 0 CA-C-N 113.013 -1.903 . . . . 0.0 111.706 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.0 mt -67.04 -44.64 88.16 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.115 0 O-C-N 122.729 -0.277 . . . . 0.0 111.269 -179.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.5 mt -63.54 -44.62 93.68 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.715 -0.394 . . . . 0.0 109.948 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 29.7 mt -60.19 -47.04 93.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.381 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 39.2 t -56.78 -51.22 69.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.701 0.286 . . . . 0.0 111.068 -179.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.7 tp -66.2 -35.25 79.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.105 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.78 -35.45 76.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.234 -179.303 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.22 -36.02 70.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.801 -179.272 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 34.5 mmm-85 -61.24 -27.83 68.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.628 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 44' ' ' PHE . 36.1 m -60.3 -47.55 85.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.977 -179.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 73.8 ttt180 -54.98 -40.24 69.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.959 0.409 . . . . 0.0 110.43 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.4 m -75.92 -37.03 59.16 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.504 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 53.7 mttt -78.26 -26.76 47.33 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.608 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 40' ' ' CYS . 2.0 m-85 -66.51 -47.01 74.32 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.261 -179.483 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -120.22 60.93 0.87 Allowed 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.588 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -64.81 -31.6 72.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.254 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -55.33 -43.38 74.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.568 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 50' ' ' THR . 25.8 mt-30 -63.99 -33.84 76.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.273 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.43 ' CG ' HH11 ' A' ' 49' ' ' ARG . 0.6 OUTLIER 40.49 26.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.706 179.833 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 48' ' ' GLN . 52.7 p -126.25 151.84 46.91 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.493 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -114.43 65.5 0.28 Allowed Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -108.92 102.11 47.15 Favored Pre-proline 0 CA--C 1.541 0.603 0 CA-C-O 119.374 -0.346 . . . . 0.0 110.396 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -52.32 137.64 55.89 Favored 'Trans proline' 0 N--CA 1.495 1.573 0 C-N-CA 121.622 1.548 . . . . 0.0 112.191 179.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -164.12 91.21 0.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.509 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 41.49 -114.06 0.22 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.535 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -95.22 117.28 29.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.401 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -76.35 -37.02 57.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.804 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 141.51 -25.83 2.44 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.432 ' CG2' ' HE ' ' A' ' 61' ' ' ARG . 0.2 OUTLIER -64.93 156.5 30.92 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 179.704 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.59 -38.09 77.2 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 179.314 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.432 ' HE ' ' CG2' ' A' ' 59' ' ' THR . 2.4 mtm-85 -64.44 -32.34 73.92 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.499 -1.228 . . . . 0.0 109.729 178.398 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.7 t -60.46 -32.95 71.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.964 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 70.9 p -63.92 -26.82 68.77 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.045 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.2 tt -64.26 -33.27 61.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.555 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.407 ' O ' ' OG ' ' A' ' 68' ' ' SER . 70.7 mtp85 -58.45 -30.24 66.77 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.266 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.559 ' NH2' ' NH1' ' A' ' 70' ' ' ARG . 43.9 mtp180 -55.49 -35.78 65.93 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.38 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.48 ' CD2' ' N ' ' A' ' 67' ' ' LEU . 3.8 mm? -58.73 -22.75 58.41 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.531 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.407 ' OG ' ' O ' ' A' ' 65' ' ' ARG . 68.3 p -69.26 -47.76 63.71 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.459 -179.445 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.4 p -105.58 -39.39 6.11 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.727 0.298 . . . . 0.0 111.305 -179.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.559 ' NH1' ' NH2' ' A' ' 66' ' ' ARG . 51.5 ttt180 -65.87 -26.5 67.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.739 -179.662 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.7 ttt-85 -137.87 -171.51 3.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.495 -179.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 75.3 mtp180 . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.574 179.784 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.62 162.26 74.38 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.396 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -69.7 -22.57 32.19 Favored 'Trans proline' 0 C--N 1.309 -1.52 0 C-N-CA 122.547 2.165 . . . . 0.0 112.137 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 55.0 mmtt -74.89 -7.45 53.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.554 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -96.85 153.92 17.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.607 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 44.7 m-70 -105.41 140.85 37.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.306 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -132.73 59.03 40.27 Favored Pre-proline 0 C--N 1.332 -0.157 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.74 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -71.25 -20.16 28.45 Favored 'Trans proline' 0 C--N 1.308 -1.601 0 C-N-CA 122.554 2.169 . . . . 0.0 112.148 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -55.98 -27.05 51.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.686 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 41.2 m -53.09 -34.78 58.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.648 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.427 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 95.6 m-85 -116.73 131.9 56.83 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.768 -179.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.427 ' OD1' ' O ' ' A' ' 11' ' ' TYR . 64.6 m-20 -161.4 -14.13 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.43 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.4 ' O ' ' N ' ' A' ' 17' ' ' GLN . 27.6 m-85 -83.54 32.03 0.46 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.699 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -51.66 -51.55 55.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.452 -179.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.5 t -83.69 -31.07 26.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.757 0.313 . . . . 0.0 111.422 -179.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.4 mt -79.74 -9.3 59.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.137 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 13' ' ' TYR . 8.5 mm-40 -70.61 -49.15 50.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.833 0.349 . . . . 0.0 110.94 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.1 mm -96.43 -6.15 9.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.044 -179.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -51.74 -95.94 0.01 OUTLIER Glycine 0 CA--C 1.528 0.879 0 C-N-CA 121.098 -0.572 . . . . 0.0 111.746 -179.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -38.1 -31.34 0.1 OUTLIER Glycine 0 CA--C 1.528 0.901 0 N-CA-C 112.253 -0.339 . . . . 0.0 112.253 -179.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.6 mp -61.44 -51.4 68.89 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 122.624 -0.339 . . . . 0.0 111.431 -179.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 61.8 t -68.41 -44.98 82.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.328 -179.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.0 mm -62.79 -46.42 96.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 C-N-CA 120.881 -0.327 . . . . 0.0 111.247 -179.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.66 -43.29 84.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.852 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.68 -38.12 95.37 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 80.4 mt -62.53 -43.09 98.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 111.673 0.249 . . . . 0.0 111.673 -179.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 35.9 tp -64.13 -47.6 79.33 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.724 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -67.31 -36.32 81.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.305 179.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.0 mt -66.58 -43.38 90.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 mt -64.71 -34.09 77.5 Favored 'General case' 0 N--CA 1.437 -1.108 0 N-CA-C 104.342 -2.466 . . . . 0.0 104.342 175.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.8 -51.47 57.9 Favored Glycine 0 CA--C 1.531 1.055 0 CA-C-N 112.837 -1.983 . . . . 0.0 111.625 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.1 mt -66.56 -44.5 90.05 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.139 0 O-C-N 122.705 -0.291 . . . . 0.0 111.39 -179.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 94.3 mt -65.03 -44.17 89.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.086 0.47 . . . . 0.0 110.221 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 32.1 mt -60.59 -46.39 95.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.362 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 46.2 t -56.49 -52.29 54.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.894 -179.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 83.0 mt -66.47 -34.69 78.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.075 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 67.9 m -61.12 -35.57 77.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.507 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -57.49 -34.75 69.38 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.953 -0.299 . . . . 0.0 111.033 -179.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.3 tpp180 -61.32 -30.65 70.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.84 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -57.86 -45.57 86.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.087 -179.529 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.515 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 65.8 ttt-85 -55.83 -43.22 76.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.099 -179.591 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.42 ' O ' ' OD1' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -78.91 -32.8 45.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.468 -179.425 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.6 ttpp -73.82 -32.3 63.65 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.704 -179.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.462 ' CD2' ' N ' ' A' ' 45' ' ' ASN . 0.5 OUTLIER -65.91 -47.93 73.11 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -178.635 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.515 ' ND2' ' O ' ' A' ' 41' ' ' ARG . 0.1 OUTLIER -72.22 87.93 1.12 Allowed 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.301 -179.542 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -58.63 -34.21 70.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.452 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -60.26 -44.67 95.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.733 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 59.1 mm-40 -69.09 -47.13 66.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.464 -179.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -148.39 134.74 19.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.34 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 32.2 p -93.88 149.59 21.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.662 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -162.0 -127.14 0.86 Allowed Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.422 ' O ' ' O ' ' A' ' 53' ' ' PRO . 8.9 mt-10 -74.02 157.27 87.19 Favored Pre-proline 0 CA--C 1.534 0.352 0 C-N-CA 121.301 -0.16 . . . . 0.0 110.686 -179.599 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.422 ' O ' ' O ' ' A' ' 52' ' ' GLU . 74.5 Cg_exo -39.43 165.82 0.02 OUTLIER 'Trans proline' 0 N--CA 1.49 1.318 0 C-N-CA 122.58 2.187 . . . . 0.0 112.467 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 60.9 t0 -78.46 116.29 18.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.557 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -121.29 -153.45 0.55 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.239 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -44.22 141.85 1.68 Allowed 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.217 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -68.08 120.84 14.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.871 0.367 . . . . 0.0 110.893 -179.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.511 ' C ' ' H ' ' A' ' 60' ' ' PHE . . . -83.98 -13.76 73.93 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.254 -1.139 . . . . 0.0 110.254 179.417 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.7 t -71.94 12.53 0.39 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.954 0.407 . . . . 0.0 110.366 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.511 ' H ' ' C ' ' A' ' 58' ' ' GLY . 55.3 t80 -69.1 -37.98 78.7 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.631 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -58.7 -32.88 69.58 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.823 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.2 p -61.42 -32.51 72.46 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.573 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.75 -33.14 74.99 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.952 -0.299 . . . . 0.0 111.532 -178.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -63.11 -31.17 51.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.607 0.242 . . . . 0.0 111.177 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 79.4 mtt180 -56.36 -29.98 62.07 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.442 ' O ' ' CG ' ' A' ' 70' ' ' ARG . 31.4 mtm105 -54.61 -35.99 63.99 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.668 -0.494 . . . . 0.0 109.668 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.5 mt -56.45 -22.88 35.02 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.198 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.5 m -72.58 -45.99 56.49 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.865 -179.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.633 ' HG1' ' N ' ' A' ' 70' ' ' ARG . 0.7 OUTLIER -105.37 -39.49 6.13 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -178.324 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.633 ' N ' ' HG1' ' A' ' 69' ' ' THR . 0.2 OUTLIER -53.01 -25.12 11.2 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.315 -0.554 . . . . 0.0 111.646 -178.623 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.41 ' O ' ' O ' ' A' ' 72' ' ' ARG . 66.3 ttt180 -153.06 155.99 37.9 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.873 -179.004 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.41 ' O ' ' O ' ' A' ' 71' ' ' ARG . 56.7 ttt85 . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 117.896 -1.05 . . . . 0.0 110.764 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t 56.78 58.32 8.4 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.631 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -71.53 -9.1 24.54 Favored 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 122.6 2.2 . . . . 0.0 112.064 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -74.93 -7.95 55.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.642 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -58.27 -37.68 75.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.273 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -105.48 131.91 52.31 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.262 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.575 ' N ' ' CD ' ' A' ' 8' ' ' PRO . 0.1 OUTLIER -93.57 -43.22 0.32 Allowed Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.153 -179.721 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.575 ' CD ' ' N ' ' A' ' 7' ' ' ASP . 48.6 Cg_endo -86.34 -47.32 0.04 OUTLIER 'Trans proline' 0 C--N 1.311 -1.413 0 C-N-CA 122.884 2.389 . . . . 0.0 112.633 -179.641 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -54.99 -14.91 1.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.606 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 30.5 m -59.42 -36.17 75.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.795 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -115.62 135.38 54.12 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.811 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.457 ' C ' ' H ' ' A' ' 14' ' ' GLN . 55.0 t0 -89.66 0.74 56.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.242 179.538 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -78.61 29.31 0.19 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.318 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.457 ' H ' ' C ' ' A' ' 12' ' ' ASP . 93.3 mm-40 -51.51 -51.75 52.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.336 -179.033 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 83.4 p -82.01 -32.73 30.43 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 121.014 -0.274 . . . . 0.0 111.512 -179.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.0 tp -81.19 -3.86 53.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.362 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -73.76 -47.14 41.2 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.304 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 2.3 tt -99.15 5.05 9.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.345 -179.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 21' ' ' LEU . . . -66.35 -89.72 0.05 OUTLIER Glycine 0 CA--C 1.528 0.866 0 C-N-CA 120.866 -0.683 . . . . 0.0 111.466 -179.498 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -37.32 -29.82 0.04 OUTLIER Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.65 -0.58 . . . . 0.0 111.65 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 19' ' ' GLY . 8.8 mp -70.77 -51.21 28.5 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -179.098 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 19.8 t -68.05 -50.83 55.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 120.471 -0.492 . . . . 0.0 112.227 -178.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.0 pt -59.18 -39.77 79.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 120.461 -0.495 . . . . 0.0 110.68 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.91 -37.42 84.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.965 0.412 . . . . 0.0 110.148 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.93 -41.97 99.7 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 111.489 -0.645 . . . . 0.0 111.489 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.9 mm -64.23 -44.29 97.41 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.123 0 C-N-CA 120.388 -0.525 . . . . 0.0 111.027 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 30.4 tp -55.76 -47.56 76.8 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.904 -179.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -71.43 -44.85 64.09 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.226 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 42.5 mt -58.32 -43.43 86.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.1 tp -65.16 -34.6 78.77 Favored 'General case' 0 N--CA 1.437 -1.089 0 N-CA-C 104.901 -2.259 . . . . 0.0 104.901 176.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.39 -52.43 51.72 Favored Glycine 0 CA--C 1.534 1.254 0 CA-C-N 113.272 -1.785 . . . . 0.0 111.713 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 20.6 mm -68.68 -44.8 82.17 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 117.022 0.411 . . . . 0.0 111.019 -179.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.431 ' O ' ' OG ' ' A' ' 37' ' ' SER . 96.2 mt -59.1 -45.87 89.75 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.549 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 31.5 mt -60.5 -44.65 96.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.49 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 40.8 t -57.07 -52.87 50.59 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.635 -178.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.2 mp -66.8 -33.46 75.67 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.234 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.431 ' OG ' ' O ' ' A' ' 33' ' ' LEU . 64.0 m -60.95 -35.85 77.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.068 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -39.04 77.25 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.457 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -58.09 -30.98 66.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.847 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 35.3 m -57.93 -38.99 76.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.687 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -60.33 -38.71 84.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.605 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.501 ' SG ' ' NH1' ' A' ' 49' ' ' ARG . 4.5 m -78.92 -37.79 39.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.625 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 37.4 mttm -76.12 -27.25 57.02 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.554 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.604 ' CB ' ' HG1' ' A' ' 59' ' ' THR . 58.8 t80 -65.55 -47.78 74.67 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.522 -178.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -158.52 101.84 1.7 Allowed 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.764 -0.375 . . . . 0.0 110.973 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -65.66 -31.2 72.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.401 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -61.63 -27.71 68.85 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.797 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -56.13 -42.18 76.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.598 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.501 ' NH1' ' SG ' ' A' ' 42' ' ' CYS . 9.0 mmt85 -70.8 -31.32 68.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.88 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 21.1 m -53.86 -38.29 64.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.522 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 127.77 65.0 0.13 Allowed Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -100.55 157.29 34.03 Favored Pre-proline 0 CA--C 1.531 0.229 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -40.17 -35.16 1.17 Allowed 'Trans proline' 0 N--CA 1.489 1.245 0 C-N-CA 122.301 2.001 . . . . 0.0 112.208 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.0 t70 47.15 25.62 0.55 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.478 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -68.48 -36.08 78.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.612 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -93.12 162.28 14.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.659 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -60.75 145.45 49.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.355 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 59' ' ' THR . . . -101.49 -131.4 7.37 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.604 ' HG1' ' CB ' ' A' ' 44' ' ' PHE . 30.0 m -49.4 179.99 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.65 0.262 . . . . 0.0 110.388 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.578 ' H ' ' CG2' ' A' ' 59' ' ' THR . 67.4 t80 -69.31 -44.28 72.06 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 -65.61 -31.69 72.86 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.513 179.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.534 ' HG ' ' N ' ' A' ' 63' ' ' SER . 15.8 p -60.62 -33.65 73.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.406 -179.492 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.534 ' N ' ' HG ' ' A' ' 62' ' ' SER . 16.1 m -65.66 -31.05 71.86 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.282 179.634 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.5 mm -63.85 -32.92 58.94 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.836 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.2 mmt85 -57.43 -29.82 64.48 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.504 ' O ' ' N ' ' A' ' 70' ' ' ARG . 3.3 mtp180 -55.1 -35.37 64.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.947 0.403 . . . . 0.0 110.243 179.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.424 ' O ' ' O ' ' A' ' 71' ' ' ARG . 3.2 tm? -56.48 -25.68 51.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.719 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.4 t -66.87 -47.46 71.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.677 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 53.6 p -106.35 -39.47 5.9 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 66' ' ' ARG . 51.5 ttt180 -58.53 -45.73 88.27 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.866 -0.334 . . . . 0.0 111.212 -179.114 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.424 ' O ' ' O ' ' A' ' 67' ' ' LEU . 9.5 mtm180 -125.43 155.1 40.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.445 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 84.4 mtm-85 . . . . . 0 C--O 1.221 -0.417 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.473 -179.889 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.534 ' N ' ' CZ ' ' A' ' 9' ' ' PHE . 96.8 mt-10 . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.88 162.41 62.53 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.421 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -68.89 -23.93 34.42 Favored 'Trans proline' 0 C--N 1.308 -1.596 0 C-N-CA 122.417 2.078 . . . . 0.0 111.943 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.1 mttt -75.66 -5.43 45.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.693 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -76.23 151.46 36.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.411 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -89.03 -170.2 2.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.658 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.527 ' N ' ' OD1' ' A' ' 7' ' ' ASP . 0.0 OUTLIER -69.1 -58.45 6.27 Favored Pre-proline 0 CA--C 1.535 0.375 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -179.344 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.428 ' O ' ' O ' ' A' ' 11' ' ' TYR . 41.6 Cg_endo -67.18 34.75 0.14 Allowed 'Trans proline' 0 N--CA 1.497 1.679 0 C-N-CA 121.693 1.596 . . . . 0.0 112.359 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.534 ' CZ ' ' N ' ' A' ' 1' ' ' GLU . 90.7 t80 -68.14 -44.36 76.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.819 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 79.9 m -69.64 -41.01 76.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.071 -179.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.428 ' O ' ' O ' ' A' ' 8' ' ' PRO . 95.5 m-85 -112.84 131.92 55.5 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.975 -179.526 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.403 ' C ' ' H ' ' A' ' 14' ' ' GLN . 22.0 t70 -146.1 -39.64 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.411 179.717 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.411 ' O ' ' N ' ' A' ' 17' ' ' GLN . 24.4 m-85 -82.37 32.31 0.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.277 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.403 ' H ' ' C ' ' A' ' 12' ' ' ASP . 93.1 mt-30 -51.66 -52.26 49.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.019 -179.261 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 82.5 p -81.84 -30.73 31.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.775 0.321 . . . . 0.0 111.179 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.5 mt -81.43 -3.4 52.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.114 -179.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 13' ' ' TYR . 2.6 mt-30 -74.87 -50.88 15.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.309 -179.533 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.412 ' O ' ' O ' ' A' ' 19' ' ' GLY . 10.7 mm -95.42 -6.52 10.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.749 0.309 . . . . 0.0 110.892 -179.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.468 ' O ' ' N ' ' A' ' 21' ' ' LEU . . . -48.74 -102.77 0.01 OUTLIER Glycine 0 CA--C 1.527 0.809 0 N-CA-C 111.741 -0.544 . . . . 0.0 111.741 -179.541 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -34.59 -30.9 0.01 OUTLIER Glycine 0 CA--C 1.527 0.815 0 N-CA-C 112.145 -0.382 . . . . 0.0 112.145 -179.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 19' ' ' GLY . 4.9 mp -62.69 -51.53 66.84 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.903 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.2 t -68.39 -50.28 58.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.88 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.405 HG23 HD12 ' A' ' 23' ' ' ILE . 80.1 mt -56.32 -46.27 81.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.908 0.385 . . . . 0.0 110.436 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.4 -37.35 70.02 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.972 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.44 -39.06 97.3 Favored Glycine 0 CA--C 1.529 0.915 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.74 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.0 mm -65.21 -44.7 95.18 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.177 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.504 -179.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 47.1 mt -60.43 -47.44 86.1 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 120.771 -0.372 . . . . 0.0 111.411 -179.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -70.26 -36.41 74.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.855 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 16.6 mt -66.4 -43.52 91.16 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.384 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.9 mt -64.63 -34.35 78.07 Favored 'General case' 0 N--CA 1.436 -1.169 0 N-CA-C 104.955 -2.239 . . . . 0.0 104.955 176.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.17 -51.88 55.82 Favored Glycine 0 CA--C 1.53 1.003 0 CA-C-N 113.577 -1.647 . . . . 0.0 111.23 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 90.8 mt -65.44 -45.09 93.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 O-C-N 122.719 -0.283 . . . . 0.0 111.482 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 97.5 mt -64.31 -45.85 86.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.994 0.426 . . . . 0.0 110.156 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 41.5 mt -60.15 -45.93 95.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.574 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 54.6 t -56.42 -52.3 54.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.935 -179.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 78.6 mt -66.15 -33.98 77.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.844 0.354 . . . . 0.0 110.613 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.496 ' O ' ' SG ' ' A' ' 40' ' ' CYS . 59.4 m -61.42 -35.27 77.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.365 -179.628 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -56.64 -31.96 64.87 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.816 -179.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.7 mtp85 -67.27 -30.54 70.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.806 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.579 ' SG ' ' N ' ' A' ' 41' ' ' ARG . 1.8 p -58.78 -42.77 89.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.29 -179.232 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.579 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 18.3 ttp85 -58.18 -43.68 87.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.882 0.372 . . . . 0.0 110.636 -179.616 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.8 m -73.45 -39.02 65.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.739 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -73.03 -26.09 61.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.176 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -64.93 -47.65 76.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.381 -179.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.464 ' OD1' ' CG ' ' A' ' 48' ' ' GLN . 9.6 p30 -87.84 122.87 32.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.827 0.346 . . . . 0.0 110.988 -179.573 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.517 ' NE2' ' O ' ' A' ' 51' ' ' GLY . 88.8 mt-30 -63.77 -24.71 67.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.645 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -53.81 -41.61 67.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.581 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.464 ' CG ' ' OD1' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -67.51 -43.12 81.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.666 179.824 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.451 ' CG ' ' H ' ' A' ' 50' ' ' THR . 0.5 OUTLIER -166.59 -100.1 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.783 179.859 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.451 ' H ' ' CG ' ' A' ' 49' ' ' ARG . 35.3 p -106.79 167.29 9.98 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.026 -179.574 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.517 ' O ' ' NE2' ' A' ' 46' ' ' GLN . . . 166.03 147.46 5.2 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.18 157.78 33.21 Favored Pre-proline 0 C--N 1.33 -0.248 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.441 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.419 ' O ' ' OD1' ' A' ' 54' ' ' ASP . 74.5 Cg_exo -38.54 155.23 0.03 OUTLIER 'Trans proline' 0 C--N 1.314 -1.253 0 C-N-CA 122.538 2.159 . . . . 0.0 112.251 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 53' ' ' PRO . 66.0 m-20 -148.93 164.71 33.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.493 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -79.46 -84.56 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.542 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -101.42 165.34 11.31 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.495 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -85.4 152.85 22.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.605 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 101.54 138.01 9.97 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.99 168.91 18.6 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -69.42 -44.23 71.8 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.408 HH21 ' HG ' ' A' ' 40' ' ' CYS . 18.3 mtm-85 -63.77 -31.71 72.97 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.803 178.731 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.8 t -60.65 -32.82 71.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.931 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.3 m -64.11 -28.03 69.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.64 -179.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.1 pp -63.24 -30.87 50.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.564 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -57.54 -32.54 67.19 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.992 -179.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.514 ' O ' ' N ' ' A' ' 70' ' ' ARG . 10.7 mpt_? -55.42 -34.59 64.56 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.46 -0.571 . . . . 0.0 109.46 179.248 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 42.1 mt -56.54 -21.92 29.66 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.553 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 32.3 t -69.02 -48.98 61.65 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.378 -0.529 . . . . 0.0 111.27 -179.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 13.5 p -107.57 -39.57 5.58 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.87 0.367 . . . . 0.0 111.546 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.514 ' N ' ' O ' ' A' ' 66' ' ' ARG . 28.6 ttp180 -65.69 -10.84 40.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.659 -178.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 63.7 ttt180 -136.11 145.56 46.02 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.803 0.335 . . . . 0.0 110.705 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 29.1 ptt180 . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.612 -179.843 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 . . . . . 0 N--CA 1.489 1.487 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.32 162.54 55.82 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.49 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -69.25 -16.52 39.76 Favored 'Trans proline' 0 C--N 1.309 -1.544 0 C-N-CA 122.536 2.157 . . . . 0.0 112.119 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.3 mmtm -74.89 -15.32 60.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.524 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -92.2 140.93 29.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.424 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -100.33 146.74 26.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.571 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.42 -51.78 4.2 Favored Pre-proline 0 CA--C 1.534 0.338 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.712 -179.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -77.1 -23.71 10.25 Favored 'Trans proline' 0 N--CA 1.49 1.29 0 C-N-CA 121.889 1.726 . . . . 0.0 112.725 -179.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -55.31 -36.03 65.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.843 0.354 . . . . 0.0 110.468 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 46.0 m -56.28 -33.75 65.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.756 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.42 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 25.5 t80 -105.59 131.96 52.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.657 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.439 ' C ' ' H ' ' A' ' 14' ' ' GLN . 70.9 m-20 -154.72 17.7 0.45 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.409 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -79.62 29.35 0.25 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.407 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.439 ' H ' ' C ' ' A' ' 12' ' ' ASP . 93.5 mt-30 -52.06 -51.04 60.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.453 -179.243 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 82.6 p -84.1 -30.63 25.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.538 -179.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 tp -81.92 -5.47 58.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.705 0.288 . . . . 0.0 111.157 -179.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -70.32 -51.51 29.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.232 -179.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -94.56 -2.08 10.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.88 -179.537 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -53.12 -96.48 0.01 OUTLIER Glycine 0 CA--C 1.528 0.863 0 C-N-CA 121.14 -0.553 . . . . 0.0 111.884 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -39.27 -34.18 0.35 Allowed Glycine 0 CA--C 1.527 0.826 0 N-CA-C 111.917 -0.473 . . . . 0.0 111.917 -179.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.8 mp -58.9 -51.2 71.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.713 0.292 . . . . 0.0 111.555 -179.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 87.2 t -68.51 -48.23 73.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.394 -179.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.5 mm -60.63 -46.03 96.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.717 0.294 . . . . 0.0 111.3 -179.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.53 -45.47 85.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.824 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.11 -37.57 91.85 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 91.2 mt -63.17 -42.73 97.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 121.075 -0.25 . . . . 0.0 111.351 -179.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 29.7 tp -61.51 -46.71 88.84 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.844 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -71.08 -36.56 72.28 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.01 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.409 HD11 HG23 ' A' ' 29' ' ' ILE . 25.3 mt -65.87 -44.13 92.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 179.446 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.4 tp -64.75 -34.25 77.9 Favored 'General case' 0 N--CA 1.435 -1.178 0 N-CA-C 104.892 -2.262 . . . . 0.0 104.892 176.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.72 -52.22 54.29 Favored Glycine 0 CA--C 1.53 1.029 0 CA-C-N 112.871 -1.968 . . . . 0.0 112.077 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 84.9 mt -66.57 -44.24 90.16 Favored 'Isoleucine or valine' 0 C--O 1.232 0.152 0 CA-C-O 120.657 0.265 . . . . 0.0 110.841 -179.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.425 ' O ' ' OG ' ' A' ' 37' ' ' SER . 95.2 mt -62.19 -45.24 94.25 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.542 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 24.8 mt -60.61 -45.02 98.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.448 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 42.3 t -56.73 -51.97 60.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.054 -178.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 73.3 mt -66.24 -32.14 73.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.877 0.37 . . . . 0.0 110.544 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' A' ' 33' ' ' LEU . 56.4 m -62.24 -35.59 79.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.223 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.6 mtt180 -57.27 -36.45 71.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.747 0.308 . . . . 0.0 110.713 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.0 tpt85 -60.87 -31.91 71.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.528 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 34.0 m -59.72 -38.91 82.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.972 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 90.2 mtt-85 -58.82 -46.7 87.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.939 0.399 . . . . 0.0 110.824 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -79.13 -30.81 43.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.582 -178.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -78.24 -28.26 47.81 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.989 -0.285 . . . . 0.0 111.61 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.521 ' CE2' ' OG1' ' A' ' 59' ' ' THR . 26.4 t80 -65.56 -46.12 80.71 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.437 -179.075 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -80.24 108.9 14.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.831 0.348 . . . . 0.0 110.852 -179.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.433 ' O ' ' O ' ' A' ' 49' ' ' ARG . 8.4 pt20 -66.15 -32.62 74.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.389 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -69.35 -36.21 76.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.499 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -61.41 -40.89 96.03 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.769 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.433 ' O ' ' O ' ' A' ' 46' ' ' GLN . 9.1 tpt180 -152.95 -127.45 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.446 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.421 ' H ' ' CG ' ' A' ' 49' ' ' ARG . 60.3 p -79.77 152.1 29.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.732 0.301 . . . . 0.0 110.445 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -107.03 74.47 0.21 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.3 157.58 33.4 Favored Pre-proline 0 C--N 1.33 -0.268 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -39.0 140.15 0.44 Allowed 'Trans proline' 0 C--N 1.312 -1.385 0 C-N-CA 122.358 2.039 . . . . 0.0 112.153 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' A' ' 54' ' ' ASP . 51.8 p30 -106.41 155.23 19.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.778 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.416 ' O ' ' CB ' ' A' ' 56' ' ' GLU . 78.8 mm-40 -95.39 18.31 12.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.468 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.416 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 19.4 tt0 76.46 2.19 3.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.25 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -109.07 166.93 10.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.378 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.497 ' C ' ' H ' ' A' ' 60' ' ' PHE . . . 126.46 -97.16 0.49 Allowed Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.358 -1.097 . . . . 0.0 110.358 -179.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.521 ' OG1' ' CE2' ' A' ' 44' ' ' PHE . 0.2 OUTLIER -53.04 -11.08 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.378 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.497 ' H ' ' C ' ' A' ' 58' ' ' GLY . 90.7 t80 -68.7 -43.74 75.4 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.223 179.519 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 40.2 ttt180 -60.73 -32.77 72.03 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.912 -1.04 . . . . 0.0 109.268 178.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.404 ' OG ' ' O ' ' A' ' 59' ' ' THR . 5.7 p -61.75 -33.19 73.62 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.012 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.6 m -63.81 -29.55 70.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.949 0.404 . . . . 0.0 110.267 -179.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 59.7 mt -63.42 -33.11 59.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.385 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.421 ' O ' ' OG ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -58.07 -29.1 65.15 Favored 'General case' 0 C--O 1.232 0.144 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 179.873 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.535 ' O ' ' N ' ' A' ' 70' ' ' ARG . 6.2 tpt85 -55.11 -35.18 64.36 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.266 178.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 50.9 mt -62.53 -23.56 67.03 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.156 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.421 ' OG ' ' O ' ' A' ' 65' ' ' ARG . 63.2 p -66.21 -48.67 69.86 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 121.084 -0.247 . . . . 0.0 111.663 -179.045 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.8 t -106.2 -38.36 6.28 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.163 0.506 . . . . 0.0 109.821 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.535 ' N ' ' O ' ' A' ' 66' ' ' ARG . 8.6 tpt180 51.04 -104.37 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.144 179.187 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 28.2 ttt180 -81.34 -74.18 0.34 Allowed 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.886 -0.325 . . . . 0.0 110.722 -179.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.586 -179.998 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m 57.73 56.39 7.15 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.661 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -68.62 -17.06 43.06 Favored 'Trans proline' 0 C--N 1.307 -1.65 0 C-N-CA 122.675 2.25 . . . . 0.0 112.144 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 16.4 mmtm -74.93 -5.29 43.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.538 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -94.91 163.13 13.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.633 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -97.54 158.08 15.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.424 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.57 -53.7 47.41 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.757 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -76.15 -11.4 19.45 Favored 'Trans proline' 0 N--CA 1.492 1.421 0 C-N-CA 121.914 1.743 . . . . 0.0 112.77 -179.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -52.53 -35.25 53.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.843 0.354 . . . . 0.0 110.633 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.1 m -54.59 -33.87 61.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.837 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -112.33 132.95 54.71 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.01 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.446 ' C ' ' H ' ' A' ' 14' ' ' GLN . 85.8 m-20 -130.33 4.22 4.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.138 179.535 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -79.19 29.3 0.22 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.376 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.446 ' H ' ' C ' ' A' ' 12' ' ' ASP . 94.8 mt-30 -51.4 -50.77 58.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.564 -179.095 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.6 t -83.56 -33.32 25.46 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.517 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 tp -79.92 -3.53 48.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.217 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -72.96 -48.76 33.85 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.355 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.7 mm -95.09 -15.4 7.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.254 -179.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.426 ' O ' ' N ' ' A' ' 21' ' ' LEU . . . -47.18 -91.7 0.01 OUTLIER Glycine 0 CA--C 1.528 0.888 0 C-N-CA 121.083 -0.579 . . . . 0.0 111.886 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -35.3 -32.52 0.03 OUTLIER Glycine 0 CA--C 1.528 0.886 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 -179.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 19' ' ' GLY . 8.6 mp -69.05 -51.0 43.46 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -179.235 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 18.4 t -65.73 -50.12 73.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -178.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.417 ' CG2' ' N ' ' A' ' 24' ' ' ALA . 15.7 tt -57.83 -45.33 87.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.636 -179.38 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.417 ' N ' ' CG2' ' A' ' 23' ' ' ILE . . . -57.42 -36.37 71.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.024 0.44 . . . . 0.0 109.949 179.585 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.57 -43.22 99.31 Favored Glycine 0 CA--C 1.527 0.837 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.606 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 11.8 mm -62.55 -42.97 97.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.191 -179.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 27.8 tp -60.35 -48.09 83.26 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 120.673 -0.411 . . . . 0.0 111.547 -178.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -71.72 -36.71 70.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.031 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 32.7 mt -65.71 -45.79 90.92 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.2 tp -64.48 -34.44 78.23 Favored 'General case' 0 N--CA 1.437 -1.104 0 N-CA-C 105.093 -2.188 . . . . 0.0 105.093 176.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.35 -51.87 56.09 Favored Glycine 0 CA--C 1.532 1.104 0 CA-C-N 113.233 -1.803 . . . . 0.0 111.536 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.9 mt -66.85 -44.87 88.71 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.158 0 CA-C-O 120.75 0.309 . . . . 0.0 111.127 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.7 mp -60.56 -46.3 90.7 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 26.1 mt -60.61 -44.83 97.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.464 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 74.2 t -57.1 -51.56 67.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.636 -179.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.3 mt -66.26 -34.2 77.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.709 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.461 ' O ' ' SG ' ' A' ' 40' ' ' CYS . 51.1 m -61.95 -35.92 79.88 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.242 -179.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.4 mmt-85 -57.87 -35.79 71.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.736 0.303 . . . . 0.0 110.797 -179.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -61.84 -27.59 68.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.559 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.586 ' SG ' ' N ' ' A' ' 41' ' ' ARG . 1.0 OUTLIER -62.08 -43.95 97.73 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.036 -179.473 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.586 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 36.9 ttm180 -57.94 -45.04 87.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.785 0.326 . . . . 0.0 110.769 -179.576 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 12.1 m -73.73 -34.56 64.83 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.799 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.7 mttm -77.99 -29.12 49.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.758 -179.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -65.76 -47.11 76.33 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.604 -0.439 . . . . 0.0 111.044 -179.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -87.81 109.41 19.72 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.694 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.422 ' O ' ' O ' ' A' ' 49' ' ' ARG . 26.9 pt20 -68.41 -34.91 76.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.234 179.723 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -60.03 -36.0 76.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.376 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -63.23 -43.75 97.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.508 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.422 ' O ' ' O ' ' A' ' 46' ' ' GLN . 59.3 ttp180 -143.73 142.31 30.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.409 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.1 m -83.87 134.91 34.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.502 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -163.95 -167.44 24.45 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -73.31 157.22 88.4 Favored Pre-proline 0 CA--C 1.533 0.296 0 C-N-CA 121.022 -0.271 . . . . 0.0 110.292 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.422 ' O ' ' OD1' ' A' ' 54' ' ' ASP . 82.3 Cg_exo -38.82 141.35 0.35 Allowed 'Trans proline' 0 C--N 1.314 -1.255 0 C-N-CA 122.407 2.071 . . . . 0.0 112.094 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.422 ' OD1' ' O ' ' A' ' 53' ' ' PRO . 97.6 m-20 -138.7 163.63 31.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.574 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -68.89 169.4 11.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.295 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -44.59 145.46 0.88 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.336 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -51.56 139.93 19.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.074 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -129.51 139.75 11.2 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.4 p -148.55 54.72 1.01 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -69.9 -44.57 69.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.014 -178.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 -62.15 -32.79 73.43 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.275 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.15 -32.38 72.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.873 -179.581 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.8 t -63.16 -31.28 72.38 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.016 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.8 tt -63.72 -33.16 60.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.283 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.544 HH21 HH22 ' A' ' 41' ' ' ARG . 92.1 mtt-85 -58.04 -32.81 68.35 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.588 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.549 ' O ' ' N ' ' A' ' 70' ' ' ARG . 31.7 ttm180 -55.82 -35.72 66.66 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 178.672 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.6 tp -57.51 -22.41 43.95 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.984 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.3 m -68.99 -48.84 62.12 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -178.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 70' ' ' ARG . 3.5 m -105.19 -34.6 7.86 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 -179.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.549 ' N ' ' O ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER 16.33 58.79 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.9 0 O-C-N 124.863 1.352 . . . . 0.0 113.224 179.827 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 -81.42 152.71 27.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.928 179.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 117.939 -1.029 . . . . 0.0 110.984 -179.627 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -137.36 162.56 54.45 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.408 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -69.41 -14.26 36.89 Favored 'Trans proline' 0 C--N 1.31 -1.484 0 C-N-CA 122.509 2.139 . . . . 0.0 112.135 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.8 mtmm -74.84 -5.15 41.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.659 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -97.69 151.87 19.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.528 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 79.3 m80 -124.83 140.37 52.99 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.557 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.413 ' OD2' ' OG1' ' A' ' 10' ' ' THR . 21.9 t0 42.54 56.14 10.59 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.723 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -69.08 -21.13 37.12 Favored 'Trans proline' 0 C--N 1.307 -1.656 0 C-N-CA 122.649 2.233 . . . . 0.0 112.108 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -58.16 -38.97 77.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.761 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.413 ' OG1' ' OD2' ' A' ' 7' ' ' ASP . 30.4 p -108.37 154.12 22.29 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.611 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -112.78 145.25 40.9 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.434 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.409 ' C ' ' H ' ' A' ' 14' ' ' GLN . 88.7 m-20 -53.42 -34.68 58.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.882 0.372 . . . . 0.0 110.227 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -82.21 30.26 0.4 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.143 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.409 ' H ' ' C ' ' A' ' 12' ' ' ASP . 2.7 mm-40 -51.17 -52.02 48.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.358 -179.152 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 83.6 p -82.99 -30.75 27.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.766 0.317 . . . . 0.0 111.419 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 tp -82.13 -3.7 55.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.467 -179.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -74.95 -47.65 28.49 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.979 -0.289 . . . . 0.0 111.261 -179.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 12.8 mm -95.02 -16.97 7.22 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-O 120.705 0.288 . . . . 0.0 111.001 -179.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' A' ' 21' ' ' LEU . . . -44.69 -92.51 0.01 OUTLIER Glycine 0 CA--C 1.528 0.903 0 C-N-CA 121.123 -0.56 . . . . 0.0 111.71 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -35.45 -29.78 0.02 OUTLIER Glycine 0 CA--C 1.526 0.763 0 N-CA-C 112.101 -0.4 . . . . 0.0 112.101 -179.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 19' ' ' GLY . 6.5 mp -70.82 -48.64 53.0 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -179.249 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.7 t -68.33 -49.47 66.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -178.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 12.1 pt -64.2 -39.09 84.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 121.08 -0.248 . . . . 0.0 111.593 -179.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.63 -48.82 79.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.073 0.463 . . . . 0.0 110.695 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.84 -35.81 87.9 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 53.1 mt -62.71 -42.58 96.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.989 -0.284 . . . . 0.0 111.59 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.3 tp -63.49 -48.01 79.39 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 120.839 -0.344 . . . . 0.0 111.132 -179.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.529 ' N ' ' CD1' ' A' ' 28' ' ' PHE . 0.5 OUTLIER -69.46 -37.0 77.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.542 179.63 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 12.1 mt -61.69 -42.75 95.5 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.448 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 mt -64.42 -34.12 77.45 Favored 'General case' 0 N--CA 1.432 -1.356 0 N-CA-C 105.186 -2.153 . . . . 0.0 105.186 175.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.14 -52.2 54.73 Favored Glycine 0 CA--C 1.533 1.214 0 CA-C-N 113.434 -1.712 . . . . 0.0 112.023 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 81.5 mt -64.17 -44.59 97.57 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 O-C-N 122.724 -0.28 . . . . 0.0 111.358 -179.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.3 mt -64.66 -45.92 84.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.137 0.494 . . . . 0.0 109.762 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 34.7 mt -60.46 -44.68 96.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.339 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 54.7 t -56.49 -52.23 55.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.684 -179.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 83.1 mt -66.11 -31.55 72.47 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.712 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 48.7 m -60.53 -35.55 76.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.49 -179.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 16.6 mmm180 -57.49 -36.87 72.06 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 120.084 -0.646 . . . . 0.0 110.38 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 42.6 mtp180 -58.8 -32.77 69.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.538 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.428 ' O ' ' N ' ' A' ' 44' ' ' PHE . 4.0 t -58.7 -46.36 87.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.795 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.6 ttt180 -56.54 -45.16 81.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.716 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.8 m -76.32 -36.14 58.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.017 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 33.0 mttt -76.95 -24.59 52.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.687 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.526 ' CD2' ' OD1' ' A' ' 45' ' ' ASN . 71.6 t80 -65.77 -49.84 66.9 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.314 -0.554 . . . . 0.0 111.189 -178.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.526 ' OD1' ' CD2' ' A' ' 44' ' ' PHE . 17.2 p30 141.62 15.5 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.06 0 O-C-N 124.662 1.226 . . . . 0.0 109.596 179.369 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 35.2 tp60 -57.47 -39.35 76.18 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.68 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -60.16 -34.32 73.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.012 0.434 . . . . 0.0 110.112 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.445 ' O ' ' CB ' ' A' ' 49' ' ' ARG . 89.6 mt-30 -79.62 -20.64 46.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.782 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.445 ' CB ' ' O ' ' A' ' 48' ' ' GLN . 5.8 tpt180 79.65 160.54 0.18 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.499 -179.632 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 35.9 m -78.3 150.45 33.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.773 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 148.6 8.73 0.19 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.896 -0.881 . . . . 0.0 110.896 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.448 ' O ' ' O ' ' A' ' 53' ' ' PRO . 0.3 OUTLIER -107.39 158.39 33.28 Favored Pre-proline 0 CA--C 1.532 0.256 0 N-CA-C 110.431 -0.211 . . . . 0.0 110.431 -179.833 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.448 ' O ' ' O ' ' A' ' 52' ' ' GLU . 33.6 Cg_exo -45.9 -178.29 0.0 OUTLIER 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 122.563 2.175 . . . . 0.0 112.485 179.569 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.422 ' OD1' ' O ' ' A' ' 54' ' ' ASP . 45.6 p30 -37.7 142.45 0.14 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.996 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -135.16 176.6 8.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.059 -179.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -102.91 -161.55 0.85 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.698 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.405 ' O ' ' CD1' ' A' ' 44' ' ' PHE . 10.5 tt0 -73.72 163.12 28.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.667 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 152.61 -32.17 0.83 Allowed Glycine 0 CA--C 1.524 0.596 0 N-CA-C 109.93 -1.268 . . . . 0.0 109.93 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 25.4 p -104.57 22.41 15.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.931 0.396 . . . . 0.0 110.051 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -67.2 -43.05 83.09 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 179.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 5.3 ttt85 -61.0 -32.21 71.79 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.425 178.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.6 m -61.17 -33.33 73.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.361 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.0 p -64.17 -31.49 72.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.847 0.356 . . . . 0.0 110.271 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 76.3 mt -63.89 -33.59 62.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.214 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.413 ' O ' ' OG ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -58.49 -30.97 67.42 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.166 179.874 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.515 ' O ' ' N ' ' A' ' 70' ' ' ARG . 91.6 mtt-85 -56.73 -35.54 68.69 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 179.452 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.43 ' O ' ' O ' ' A' ' 71' ' ' ARG . 48.2 mt -58.17 -22.64 52.27 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.463 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.577 ' HG ' ' H ' ' A' ' 69' ' ' THR . 60.7 p -67.98 -48.47 65.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.446 -179.073 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.577 ' H ' ' HG ' ' A' ' 68' ' ' SER . 0.1 OUTLIER -106.17 -37.97 6.42 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.24 -179.402 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.515 ' N ' ' O ' ' A' ' 66' ' ' ARG . 19.4 ttp85 -75.47 -0.26 19.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.361 -179.299 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -153.77 118.55 4.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.914 0.388 . . . . 0.0 110.732 -179.911 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 57.7 ttt85 . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.643 179.849 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 t 56.09 57.42 9.61 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.665 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -69.65 -23.38 31.36 Favored 'Trans proline' 0 C--N 1.307 -1.629 0 C-N-CA 122.614 2.21 . . . . 0.0 112.184 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 38.7 mmtt -74.92 -9.9 58.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.466 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -102.51 159.96 14.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.636 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -124.7 150.39 46.21 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.381 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -135.91 161.51 62.26 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.488 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -69.8 -24.62 29.31 Favored 'Trans proline' 0 N--CA 1.493 1.462 0 C-N-CA 122.396 2.064 . . . . 0.0 112.184 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -52.81 -29.05 25.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.649 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.7 m -52.74 -39.95 62.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.628 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.419 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 84.8 m-85 -137.4 132.33 33.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.93 0.395 . . . . 0.0 110.797 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.44 ' C ' ' H ' ' A' ' 14' ' ' GLN . 67.2 m-20 -156.42 -8.17 0.1 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.381 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -79.57 30.38 0.24 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.626 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.44 ' H ' ' C ' ' A' ' 12' ' ' ASP . 26.0 mt-30 -51.26 -51.71 51.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.364 -179.341 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 85.4 p -80.63 -34.87 34.66 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.654 -179.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -80.25 -3.27 48.51 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.472 -179.262 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -72.86 -45.57 57.63 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.277 -179.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 13.7 mm -97.56 -19.12 6.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.269 -179.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.491 ' O ' ' N ' ' A' ' 21' ' ' LEU . . . -43.71 -93.91 0.01 OUTLIER Glycine 0 CA--C 1.529 0.925 0 C-N-CA 120.99 -0.624 . . . . 0.0 111.648 -179.399 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -32.89 -31.9 0.01 OUTLIER Glycine 0 CA--C 1.527 0.781 0 O-C-N 123.676 0.28 . . . . 0.0 112.438 -179.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 19' ' ' GLY . 8.5 mp -70.8 -50.82 31.56 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -179.285 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.4 t -67.02 -50.75 61.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 C-N-CA 120.495 -0.482 . . . . 0.0 112.046 -178.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.5 pt -59.2 -39.56 79.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.564 -0.455 . . . . 0.0 110.611 -179.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.43 -37.54 81.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.211 0.529 . . . . 0.0 109.931 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.74 -40.62 98.69 Favored Glycine 0 CA--C 1.524 0.609 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.665 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.6 mm -63.73 -41.64 93.26 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-N 117.125 0.463 . . . . 0.0 111.12 -179.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 27.8 tp -61.3 -48.59 80.68 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.491 -0.484 . . . . 0.0 111.208 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -71.88 -36.64 70.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.515 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.6 mt -67.62 -43.85 86.6 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.256 0 CA-C-O 121.282 0.563 . . . . 0.0 109.511 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.8 tp -65.02 -34.71 79.09 Favored 'General case' 0 N--CA 1.434 -1.247 0 N-CA-C 105.395 -2.076 . . . . 0.0 105.395 176.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.4 -52.42 52.75 Favored Glycine 0 CA--C 1.532 1.152 0 CA-C-N 113.206 -1.815 . . . . 0.0 111.777 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 87.4 mt -63.13 -44.76 99.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 O-C-N 122.627 -0.337 . . . . 0.0 110.892 -179.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.428 ' O ' ' OG ' ' A' ' 37' ' ' SER . 95.7 mt -62.76 -45.06 94.43 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 179.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 18.1 mt -60.6 -44.96 97.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.376 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 86.4 t -56.77 -52.03 59.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.817 -179.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.6 mp -65.96 -33.16 75.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.859 0.361 . . . . 0.0 110.736 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' A' ' 33' ' ' LEU . 55.2 m -61.21 -36.12 79.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.373 -179.427 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.659 HH21 ' NH2' ' A' ' 61' ' ' ARG . 0.2 OUTLIER -57.76 -40.13 79.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.697 0.284 . . . . 0.0 110.9 -179.41 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 36.3 ttt180 -58.86 -31.18 68.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.055 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 5.1 t -58.42 -45.56 88.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.377 -179.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 59.5 ttp85 -56.33 -40.03 73.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.926 -179.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.43 -47.48 19.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.137 -179.447 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 36.6 mtpt -60.69 -35.21 75.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.646 -179.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -65.23 -47.88 75.26 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.1 0.408 . . . . 0.0 112.1 -178.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.517 ' CB ' HE21 ' A' ' 48' ' ' GLN . 11.0 t-20 -71.45 110.2 5.9 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.901 -179.553 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.414 ' O ' ' OG1' ' A' ' 50' ' ' THR . 78.2 mt-30 -60.14 -34.77 74.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.074 179.698 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -56.07 -45.42 79.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.223 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.517 HE21 ' CB ' ' A' ' 45' ' ' ASN . 53.7 mt-30 -70.56 -41.09 72.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.127 179.592 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 48.2 ttt-85 -157.04 114.83 3.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.175 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.414 ' OG1' ' O ' ' A' ' 46' ' ' GLN . 86.0 m -103.9 138.15 40.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.74 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 143.19 -48.05 0.78 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.246 -0.741 . . . . 0.0 111.246 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -74.4 154.42 87.93 Favored Pre-proline 0 CA--C 1.535 0.369 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.753 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -43.59 162.14 0.06 OUTLIER 'Trans proline' 0 N--CA 1.491 1.369 0 C-N-CA 122.169 1.912 . . . . 0.0 112.351 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -66.06 -25.93 67.26 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.317 179.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 63.04 123.99 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.842 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -61.63 -41.59 97.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.035 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -102.58 151.44 22.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.339 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.529 ' C ' ' H ' ' A' ' 60' ' ' PHE . . . 173.14 -80.78 0.08 OUTLIER Glycine 0 CA--C 1.52 0.377 0 N-CA-C 110.439 -1.064 . . . . 0.0 110.439 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.26 8.71 0.93 Allowed 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 179.237 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.529 ' H ' ' C ' ' A' ' 58' ' ' GLY . 88.0 t80 -66.54 -42.5 87.08 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 179.072 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.659 ' NH2' HH21 ' A' ' 38' ' ' ARG . 8.2 ttt180 -59.14 -33.33 70.77 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.291 -0.868 . . . . 0.0 108.792 178.303 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.511 ' H ' ' HG ' ' A' ' 62' ' ' SER . 1.2 m -61.53 -34.13 75.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.192 179.676 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.7 p -66.11 -33.52 75.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.002 0.429 . . . . 0.0 109.922 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.7 mm -62.3 -32.15 53.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.238 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 23.6 mtp-105 -57.59 -30.02 64.95 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.286 -0.566 . . . . 0.0 109.841 179.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.541 ' O ' ' N ' ' A' ' 70' ' ' ARG . 0.6 OUTLIER -54.77 -35.0 63.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.136 -179.62 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.0 -21.66 59.34 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.024 179.38 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.2 m -69.64 -49.08 57.18 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 120.62 -0.432 . . . . 0.0 111.498 -178.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -107.27 -39.19 5.76 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.917 0.389 . . . . 0.0 111.099 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.541 ' N ' ' O ' ' A' ' 66' ' ' ARG . 4.9 tpt180 -77.95 39.65 0.3 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.456 -179.233 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 62.7 ttt-85 -138.89 -56.91 0.62 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.856 0.36 . . . . 0.0 110.13 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 117.944 -1.026 . . . . 0.0 110.476 179.97 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m 55.22 57.78 10.87 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.692 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -70.69 -13.54 32.41 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.683 2.255 . . . . 0.0 112.095 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 38.5 mmtm -74.9 -5.08 41.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.588 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -72.78 151.97 41.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.557 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -90.93 142.2 28.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.515 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 7' ' ' ASP . 0.0 OUTLIER -81.04 162.27 60.1 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.542 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -69.25 -17.95 39.66 Favored 'Trans proline' 0 C--N 1.31 -1.469 0 C-N-CA 122.574 2.183 . . . . 0.0 112.211 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -52.74 -34.44 52.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.754 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 29.3 m -54.59 -36.44 64.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.709 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -110.86 132.16 54.44 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.004 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.432 ' C ' ' H ' ' A' ' 14' ' ' GLN . 55.6 p30 -99.61 7.54 45.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.354 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -80.43 31.0 0.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.388 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.432 ' H ' ' C ' ' A' ' 12' ' ' ASP . 93.6 mm-40 -51.48 -52.11 49.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.497 -179.211 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 84.2 p -83.99 -31.26 25.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.602 -179.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.5 tp -81.24 -3.16 51.52 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.639 -179.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -74.57 -50.11 19.23 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.464 -179.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.406 ' O ' ' O ' ' A' ' 19' ' ' GLY . 13.5 mm -90.31 -22.57 6.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.813 0.339 . . . . 0.0 111.393 -179.138 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.491 ' O ' ' N ' ' A' ' 21' ' ' LEU . . . -39.65 -95.24 0.01 OUTLIER Glycine 0 CA--C 1.528 0.874 0 N-CA-C 111.898 -0.481 . . . . 0.0 111.898 -179.51 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -32.12 -32.26 0.01 OUTLIER Glycine 0 CA--C 1.526 0.774 0 CA-C-N 115.691 -0.255 . . . . 0.0 112.745 -179.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 19' ' ' GLY . 20.3 mt -71.51 -51.05 25.7 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.679 -179.038 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.6 t -65.59 -50.94 68.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 C-N-CA 120.591 -0.444 . . . . 0.0 111.976 -178.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.8 pt -59.09 -42.21 85.84 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.75 -179.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.24 -35.12 73.11 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.248 0.547 . . . . 0.0 109.978 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.57 -39.36 93.87 Favored Glycine 0 CA--C 1.526 0.755 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.84 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.3 mm -64.4 -44.6 97.13 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-N 117.205 0.503 . . . . 0.0 111.409 -178.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.1 tp -61.63 -47.85 83.52 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.118 -178.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -70.23 -37.57 75.02 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.895 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 16.5 mt -63.56 -42.38 95.94 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.513 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 179.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.4 mt -64.61 -33.48 76.02 Favored 'General case' 0 N--CA 1.432 -1.342 0 N-CA-C 104.878 -2.267 . . . . 0.0 104.878 175.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.61 -50.57 62.25 Favored Glycine 0 CA--C 1.531 1.071 0 CA-C-N 113.825 -1.534 . . . . 0.0 111.462 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 33.3 mm -69.47 -44.75 79.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-N 116.929 0.365 . . . . 0.0 111.406 -179.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.428 ' O ' ' OG ' ' A' ' 37' ' ' SER . 95.4 mt -62.65 -47.43 83.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.035 0.445 . . . . 0.0 110.432 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 58.9 mt -60.38 -44.56 96.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.354 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 43.6 t -56.41 -52.42 52.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.778 -179.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 78.6 mt -66.55 -33.07 74.86 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.776 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' A' ' 33' ' ' LEU . 51.1 m -61.89 -37.36 84.29 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.586 -179.524 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.9 ptt-85 -57.53 -31.57 66.21 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.641 -0.423 . . . . 0.0 110.452 -179.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.3 ttp180 -66.01 -31.58 72.55 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.403 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 50.0 m -57.59 -49.61 75.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.023 -179.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 33.1 ttp180 -55.02 -37.98 67.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.783 0.325 . . . . 0.0 110.541 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.2 m -72.45 -40.23 67.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.089 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 38.1 mtmt -77.98 -22.7 49.0 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -179.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.491 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 2.0 m-85 -64.54 -50.36 67.63 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.355 -0.538 . . . . 0.0 111.907 -177.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 44' ' ' PHE . 6.8 m-20 158.75 14.19 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 120.981 0.42 . . . . 0.0 110.332 179.573 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.423 ' O ' ' O ' ' A' ' 49' ' ' ARG . 7.1 tm0? -57.27 -35.73 70.13 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.513 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -65.71 -29.23 69.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.929 0.395 . . . . 0.0 110.272 179.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -57.13 -38.24 73.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.782 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.495 ' NH1' ' OE2' ' A' ' 52' ' ' GLU . 3.6 ptm180 -158.05 157.89 33.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.76 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.59 ' HG1' ' N ' ' A' ' 51' ' ' GLY . 0.2 OUTLIER -106.09 160.24 15.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.373 179.924 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.59 ' N ' ' HG1' ' A' ' 50' ' ' THR . . . -55.84 137.66 45.92 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.495 ' OE2' ' NH1' ' A' ' 49' ' ' ARG . 0.7 OUTLIER -110.53 157.68 37.61 Favored Pre-proline 0 CA--C 1.533 0.312 0 N-CA-C 110.594 -0.15 . . . . 0.0 110.594 -179.885 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.433 ' O ' ' O ' ' A' ' 52' ' ' GLU . 52.9 Cg_exo -42.98 174.38 0.0 OUTLIER 'Trans proline' 0 N--CA 1.491 1.356 0 C-N-CA 122.418 2.079 . . . . 0.0 112.623 179.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 56.74 -172.05 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.899 179.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -52.72 143.2 16.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.847 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.9 tp10 -107.45 145.29 33.21 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.633 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -141.42 58.24 1.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.496 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' A' ' 59' ' ' THR . . . -85.72 -135.94 3.86 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.431 ' O ' ' O ' ' A' ' 58' ' ' GLY . 82.7 p -51.66 -171.93 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.896 0.379 . . . . 0.0 110.704 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.23 -43.85 73.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.203 0.525 . . . . 0.0 109.654 179.604 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 43.0 mtp85 -61.53 -32.27 72.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.741 178.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.68 -33.5 72.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.647 -179.536 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.9 t -64.28 -30.28 71.34 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.591 -0.444 . . . . 0.0 109.895 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 49.4 mt -62.65 -33.12 58.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.036 179.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 50.7 ttt180 -57.84 -29.62 65.12 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.545 ' O ' ' N ' ' A' ' 70' ' ' ARG . 33.1 ttp180 -54.94 -35.3 64.08 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.184 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.15 -22.44 62.88 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.71 179.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 18.9 m -65.21 -48.56 72.95 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.542 -179.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 20.8 p -106.15 -38.97 6.1 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.413 0.625 . . . . 0.0 109.65 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.545 ' N ' ' O ' ' A' ' 66' ' ' ARG . 53.0 ttt-85 69.48 -77.9 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.931 -1.031 . . . . 0.0 111.708 179.059 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 72.0 mtp85 -132.51 151.88 51.75 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.019 0.438 . . . . 0.0 110.927 -179.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 77.5 mtm180 . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.583 -179.908 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 m -133.8 58.51 32.78 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.683 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -71.27 -13.64 30.95 Favored 'Trans proline' 0 C--N 1.307 -1.626 0 C-N-CA 122.611 2.207 . . . . 0.0 112.073 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -75.02 -7.51 53.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.749 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -69.24 150.71 47.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.589 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -89.13 152.88 21.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.534 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -56.18 -50.77 85.57 Favored Pre-proline 0 CA--C 1.536 0.413 0 CA-C-N 116.14 -0.482 . . . . 0.0 112.107 -179.509 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -76.23 -9.68 19.1 Favored 'Trans proline' 0 N--CA 1.493 1.448 0 C-N-CA 121.855 1.703 . . . . 0.0 112.988 -179.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -56.52 -28.99 61.34 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.661 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 41.0 m -51.37 -35.29 38.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.205 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -116.08 134.33 55.06 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.946 -179.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -105.01 3.34 30.48 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.201 179.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.416 ' O ' ' N ' ' A' ' 17' ' ' GLN . 28.6 m-85 -82.32 29.79 0.42 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.493 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -51.76 -50.68 60.18 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.476 -179.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 83.9 p -83.61 -30.45 26.92 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.514 -179.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 tp -81.73 -9.25 59.69 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.292 -179.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 13' ' ' TYR . 9.8 mm-40 -68.86 -49.28 59.66 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.332 -179.624 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 13.9 mm -96.37 -8.73 9.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.906 0.384 . . . . 0.0 111.103 -179.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.06 -84.69 0.03 OUTLIER Glycine 0 CA--C 1.528 0.899 0 C-N-CA 121.171 -0.538 . . . . 0.0 111.912 -179.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -41.05 -32.3 0.57 Allowed Glycine 0 CA--C 1.527 0.823 0 N-CA-C 112.262 -0.335 . . . . 0.0 112.262 -178.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.3 mp -68.95 -51.19 42.28 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -178.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 85.6 t -63.0 -49.94 81.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -178.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.8 pt -60.23 -42.22 89.63 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 C-N-CA 120.601 -0.439 . . . . 0.0 111.198 -179.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.24 -34.94 72.82 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.501 -0.48 . . . . 0.0 109.813 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.62 -39.9 95.67 Favored Glycine 0 CA--C 1.528 0.873 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.779 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.7 mm -64.86 -44.38 96.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.277 -0.569 . . . . 0.0 111.509 -179.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.4 tp -61.09 -47.84 84.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.925 0.393 . . . . 0.0 111.237 -178.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -70.96 -37.47 72.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.022 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 21.6 mt -63.53 -43.92 98.5 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.509 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 179.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 mt -64.14 -32.99 74.76 Favored 'General case' 0 N--CA 1.432 -1.347 0 N-CA-C 104.558 -2.386 . . . . 0.0 104.558 175.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.18 -50.86 59.46 Favored Glycine 0 CA--C 1.531 1.042 0 CA-C-N 113.476 -1.693 . . . . 0.0 111.153 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 28.9 mm -70.49 -44.75 76.8 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 116.949 0.374 . . . . 0.0 111.315 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.6 mp -60.95 -48.21 82.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.143 0.497 . . . . 0.0 110.779 -179.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 66.4 mt -60.55 -44.44 96.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.356 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 40.4 t -56.62 -51.06 70.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.474 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.6 tp -66.2 -32.42 73.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.466 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.494 ' O ' ' SG ' ' A' ' 40' ' ' CYS . 11.3 t -62.63 -35.9 81.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.477 -179.632 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 10.9 mmt180 -57.63 -35.87 71.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.198 -179.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.4 mmt85 -63.23 -30.79 71.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.783 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.577 ' SG ' ' N ' ' A' ' 41' ' ' ARG . 1.4 p -58.17 -40.53 81.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.311 -179.457 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.577 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 61.5 ttp85 -61.91 -45.68 92.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.3 -179.376 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.41 -32.74 54.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.402 -179.363 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.1 mmmt -75.22 -33.51 61.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.612 -179.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.52 ' CE2' ' OG1' ' A' ' 59' ' ' THR . 2.1 t80 -66.38 -46.99 74.79 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.608 -179.295 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -70.87 107.92 4.25 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.804 0.335 . . . . 0.0 110.678 -179.416 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -59.41 -34.96 73.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.703 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -59.38 -47.01 87.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.742 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -67.22 -42.78 83.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.485 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.0 ttt180 -160.52 137.4 9.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.437 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.7 m -99.63 136.89 38.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.56 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -142.97 -118.28 1.32 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -108.21 102.34 45.97 Favored Pre-proline 0 CA--C 1.54 0.594 0 CA-C-O 119.415 -0.326 . . . . 0.0 110.625 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -53.36 136.71 63.69 Favored 'Trans proline' 0 N--CA 1.494 1.558 0 C-N-CA 121.428 1.419 . . . . 0.0 111.896 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -171.67 -162.38 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.683 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -94.47 -159.96 0.74 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.484 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 57.84 72.19 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.875 0.369 . . . . 0.0 110.289 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -63.71 132.72 51.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.719 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.462 ' C ' ' H ' ' A' ' 60' ' ' PHE . . . -74.69 -14.86 80.97 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 110.423 -1.071 . . . . 0.0 110.423 179.485 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.52 ' OG1' ' CE2' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -70.45 7.03 1.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.786 0.327 . . . . 0.0 110.268 179.794 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.462 ' H ' ' C ' ' A' ' 58' ' ' GLY . 39.7 t80 -68.44 -39.69 81.41 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 179.482 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -60.27 -32.64 71.36 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.859 179.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.3 p -61.2 -32.86 72.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.408 -179.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.9 m -63.87 -33.25 75.28 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.403 -178.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -64.3 -32.23 56.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 C-N-CA 120.598 -0.441 . . . . 0.0 111.055 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -57.69 -30.47 65.51 Favored 'General case' 0 CA--C 1.519 -0.245 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.541 ' O ' ' N ' ' A' ' 70' ' ' ARG . 91.9 mtt-85 -55.63 -34.04 64.57 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 178.039 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.3 tp -56.35 -22.6 32.02 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.813 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 24.3 t -69.33 -48.96 59.87 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.856 -179.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.405 ' HG1' ' N ' ' A' ' 70' ' ' ARG . 68.8 p -106.14 -39.2 6.03 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.379 0.609 . . . . 0.0 109.883 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.541 ' N ' ' O ' ' A' ' 66' ' ' ARG . 27.5 ttm180 61.06 -85.31 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.839 178.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 69.9 mtm-85 -58.49 147.03 33.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.838 0.352 . . . . 0.0 110.787 -179.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 50.0 ttt85 . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.408 -179.733 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.521 ' N ' ' OE1' ' A' ' 5' ' ' GLU . 77.4 mm-40 . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.91 162.43 55.85 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.411 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -69.65 -19.36 36.75 Favored 'Trans proline' 0 C--N 1.309 -1.506 0 C-N-CA 122.562 2.175 . . . . 0.0 112.142 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -74.94 -5.0 41.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.628 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.521 ' OE1' ' N ' ' A' ' 1' ' ' GLU . 95.1 mt-10 -89.16 150.13 22.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.676 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -104.48 151.07 24.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.541 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.23 162.22 73.92 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.398 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -69.28 -26.71 29.57 Favored 'Trans proline' 0 N--CA 1.493 1.487 0 C-N-CA 122.475 2.117 . . . . 0.0 112.238 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -54.68 -42.05 70.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.625 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 51.0 p -72.56 -11.4 60.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.695 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -109.27 133.38 53.11 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.101 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.479 ' C ' ' H ' ' A' ' 14' ' ' GLN . 58.6 t0 -142.23 -3.9 1.05 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.958 179.643 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -76.74 32.45 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.555 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.479 ' H ' ' C ' ' A' ' 12' ' ' ASP . 26.6 mt-30 -51.4 -49.97 60.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.553 -179.045 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.428 ' HG ' ' N ' ' A' ' 16' ' ' LEU . 83.5 p -84.12 -31.28 25.32 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -179.071 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.428 ' N ' ' HG ' ' A' ' 15' ' ' SER . 2.2 tp -79.02 -3.15 43.71 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -178.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.83 -52.22 13.77 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.436 -179.343 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 8.0 mm -89.85 -16.39 8.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.858 0.361 . . . . 0.0 111.107 -178.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.495 ' O ' ' N ' ' A' ' 21' ' ' LEU . . . -44.67 -94.9 0.01 OUTLIER Glycine 0 CA--C 1.527 0.807 0 N-CA-C 111.645 -0.582 . . . . 0.0 111.645 -179.615 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -34.93 -29.19 0.01 OUTLIER Glycine 0 CA--C 1.525 0.715 0 N-CA-C 112.321 -0.312 . . . . 0.0 112.321 -179.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 19' ' ' GLY . 8.5 mp -72.15 -48.65 41.88 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -179.112 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.3 t -68.36 -50.12 60.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.948 -178.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 13.0 pt -61.82 -38.78 81.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.949 -179.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.89 -42.46 99.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.938 0.399 . . . . 0.0 110.919 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.09 -37.64 94.86 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.556 -0.617 . . . . 0.0 111.556 -179.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.86 -43.54 97.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 C-N-CA 120.889 -0.324 . . . . 0.0 111.341 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 36.6 tp -61.87 -47.25 85.84 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.638 -179.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.408 ' O ' ' N ' ' A' ' 31' ' ' GLY . 6.5 m-85 -67.23 -43.76 81.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.474 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 30.1 mt -58.84 -41.1 81.8 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.381 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 179.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.2 mt -65.02 -34.22 77.91 Favored 'General case' 0 N--CA 1.433 -1.29 0 N-CA-C 104.87 -2.271 . . . . 0.0 104.87 175.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . -58.15 -52.33 53.14 Favored Glycine 0 CA--C 1.534 1.227 0 CA-C-N 113.355 -1.748 . . . . 0.0 112.003 -179.576 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.9 mm -66.72 -44.63 89.38 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 O-C-N 122.562 -0.376 . . . . 0.0 111.07 -179.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.8 mt -63.13 -46.57 86.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.927 0.394 . . . . 0.0 110.057 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.7 mt -60.59 -46.15 96.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.375 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 77.8 t -56.78 -52.24 57.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 C-N-CA 120.776 -0.369 . . . . 0.0 110.871 -179.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.6 mp -66.05 -34.85 79.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.603 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 65.1 m -61.02 -35.87 78.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.844 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.5 mmt-85 -57.42 -41.81 81.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.456 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.7 ttt85 -57.19 -28.43 62.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.054 179.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.7 t -61.0 -46.2 91.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.896 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 69.2 mtp180 -54.83 -40.03 69.16 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.82 0.343 . . . . 0.0 110.855 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.29 -38.97 55.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.885 -179.685 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 50.8 mmtt -73.37 -27.81 61.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.994 -179.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -64.99 -48.12 75.11 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.82 -178.555 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -130.12 108.51 10.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.647 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -64.05 -34.77 78.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.191 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.417 ' OE1' ' OE2' ' A' ' 57' ' ' GLU . 92.8 mt-30 -56.89 -22.76 39.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.469 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 61.2 tp60 -55.74 -38.11 69.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.551 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 76.3 ttt-85 -112.45 77.43 1.04 Allowed 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.553 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 47' ' ' GLN . 1.1 p -139.24 9.16 2.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.579 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.74 22.86 41.16 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -107.78 101.79 42.09 Favored Pre-proline 0 CA--C 1.541 0.624 0 CA-C-O 119.531 -0.271 . . . . 0.0 110.352 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -55.92 -22.32 37.59 Favored 'Trans proline' 0 N--CA 1.495 1.582 0 C-N-CA 121.532 1.488 . . . . 0.0 112.147 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -78.45 129.43 34.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.703 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.487 ' CD ' ' H ' ' A' ' 55' ' ' GLU . 2.0 pm0 -86.14 121.8 29.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.421 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -112.52 -178.0 3.29 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.582 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.417 ' OE2' ' OE1' ' A' ' 47' ' ' GLN . 19.0 mp0 49.08 -116.32 0.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.768 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 139.74 123.35 2.04 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.425 ' OG1' ' OG ' ' A' ' 62' ' ' SER . 5.1 p -89.11 177.22 6.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.608 0.242 . . . . 0.0 110.577 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -69.72 -44.54 70.11 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 179.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 48.4 ttt85 -64.95 -32.73 74.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.058 -0.974 . . . . 0.0 109.416 178.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.425 ' OG ' ' OG1' ' A' ' 59' ' ' THR . 45.6 m -61.93 -33.18 73.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.121 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 79.3 p -64.05 -28.02 69.51 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.118 0.485 . . . . 0.0 110.78 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.5 mm -62.65 -32.54 55.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.689 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -57.31 -28.65 63.25 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.346 -179.645 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.551 ' O ' ' N ' ' A' ' 70' ' ' ARG . 3.8 mtp-105 -54.69 -34.71 62.73 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.095 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 59.0 mt -59.45 -22.76 61.97 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.48 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.7 t -65.93 -48.45 71.36 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 111.614 0.227 . . . . 0.0 111.614 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 15.0 t -105.3 -37.54 6.83 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.416 0.627 . . . . 0.0 109.514 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.551 ' N ' ' O ' ' A' ' 66' ' ' ARG . 5.5 ttp180 61.38 -168.44 0.18 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.92 -1.037 . . . . 0.0 111.93 178.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 45.7 ttt-85 -119.61 153.66 35.14 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.492 -179.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 60.0 ttt-85 . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.478 179.939 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -179.51 -52.78 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.393 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -78.89 -18.71 11.43 Favored 'Trans proline' 0 N--CA 1.49 1.295 0 C-N-CA 122.005 1.804 . . . . 0.0 112.212 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.9 mmtm -74.85 -4.97 41.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.554 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -69.7 151.69 45.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.661 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 50.1 p-80 -82.36 -11.54 58.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.606 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -132.17 62.74 65.28 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.575 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -73.46 -11.97 24.74 Favored 'Trans proline' 0 C--N 1.308 -1.569 0 C-N-CA 122.613 2.209 . . . . 0.0 112.176 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -53.88 -36.0 62.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.504 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.1 t -135.15 152.2 51.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.679 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.416 ' C ' ' N ' ' A' ' 13' ' ' TYR . 57.4 m-85 -115.35 136.99 52.52 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.376 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.508 ' C ' ' H ' ' A' ' 14' ' ' GLN . 88.1 m-20 -48.25 -18.88 0.24 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.961 0.41 . . . . 0.0 110.534 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.416 ' N ' ' C ' ' A' ' 11' ' ' TYR . 26.2 m-85 -76.74 30.67 0.13 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.264 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.508 ' H ' ' C ' ' A' ' 12' ' ' ASP . 69.7 mt-30 -51.54 -51.97 50.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.491 -179.014 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 79.9 p -82.41 -34.99 28.06 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -178.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.0 tp -77.41 -9.08 58.66 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.972 -0.291 . . . . 0.0 111.518 -178.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -67.59 -51.17 53.51 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.974 -0.291 . . . . 0.0 111.421 -179.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 15.3 mm -94.68 -10.37 9.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.87 0.367 . . . . 0.0 111.009 -179.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -51.22 -81.36 0.05 OUTLIER Glycine 0 CA--C 1.529 0.926 0 N-CA-C 111.832 -0.507 . . . . 0.0 111.832 -179.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -44.41 -29.65 1.82 Allowed Glycine 0 CA--C 1.528 0.851 0 C-N-CA 121.761 -0.257 . . . . 0.0 112.521 -178.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.8 mp -71.77 -47.33 54.29 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -178.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 42.1 t -66.19 -49.2 77.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -178.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 6.1 pt -64.43 -43.95 97.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.525 -179.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.22 -45.58 87.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.931 0.396 . . . . 0.0 110.507 -179.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.59 -40.68 96.69 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 80.1 mt -60.23 -42.31 89.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 111.56 0.207 . . . . 0.0 111.56 -179.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 31.7 tp -61.64 -47.21 86.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.784 0.325 . . . . 0.0 110.729 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -70.98 -36.54 72.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.167 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 7.4 mm -66.88 -43.67 89.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.8 tp -65.18 -34.72 79.06 Favored 'General case' 0 N--CA 1.436 -1.165 0 N-CA-C 105.093 -2.188 . . . . 0.0 105.093 176.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.93 -51.82 56.96 Favored Glycine 0 CA--C 1.529 0.924 0 CA-C-N 112.608 -2.087 . . . . 0.0 112.06 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 72.3 mt -68.19 -45.21 83.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 C-N-CA 121.046 -0.262 . . . . 0.0 110.914 -179.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.429 ' O ' ' OG ' ' A' ' 37' ' ' SER . 92.3 mt -58.42 -46.43 86.5 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.379 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 29.5 mt -60.41 -42.79 92.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.405 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 42.3 t -57.14 -52.62 53.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.493 -178.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.4 mp -66.59 -33.81 76.49 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.164 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.493 ' O ' ' SG ' ' A' ' 40' ' ' CYS . 44.4 m -60.63 -35.71 76.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.133 -179.762 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.9 mmt85 -57.54 -33.82 68.51 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.754 -179.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -65.61 -30.49 71.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.677 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.574 ' SG ' ' N ' ' A' ' 41' ' ' ARG . 1.3 p -57.9 -40.92 81.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 -179.659 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.574 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 10.6 ttm-85 -62.1 -43.87 97.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.802 0.334 . . . . 0.0 110.795 -179.704 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.2 m -78.28 -32.58 49.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 -179.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.0 mmtt -77.34 -30.21 53.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.379 -179.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.495 ' CE2' ' OG1' ' A' ' 59' ' ' THR . 16.1 t80 -66.03 -47.54 74.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.537 -179.279 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 45.1 t-20 -84.12 107.0 16.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.852 0.358 . . . . 0.0 110.592 -179.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 50' ' ' THR . 4.8 pt20 -73.38 -24.87 60.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.376 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -56.21 -37.08 69.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.811 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -64.45 -45.63 86.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.906 -179.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.411 ' O ' ' O ' ' A' ' 50' ' ' THR . 19.6 ptt85 -172.06 63.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.69 -0.404 . . . . 0.0 111.136 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 46' ' ' GLN . 0.2 OUTLIER 56.96 156.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.902 179.576 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -131.11 137.83 9.74 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.64 -0.984 . . . . 0.0 110.64 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.431 ' O ' ' O ' ' A' ' 53' ' ' PRO . 0.5 OUTLIER -110.63 157.66 37.75 Favored Pre-proline 0 CA--C 1.534 0.354 0 N-CA-C 110.564 -0.161 . . . . 0.0 110.564 -179.707 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.431 ' O ' ' O ' ' A' ' 52' ' ' GLU . 37.0 Cg_exo -44.35 175.7 0.01 OUTLIER 'Trans proline' 0 N--CA 1.491 1.358 0 C-N-CA 122.263 1.976 . . . . 0.0 112.223 179.561 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 66.18 84.38 0.16 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.783 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -146.88 77.61 1.47 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.19 0.519 . . . . 0.0 110.27 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -68.2 -46.78 69.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.885 -179.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -115.51 159.41 21.24 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.715 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.484 ' C ' ' H ' ' A' ' 60' ' ' PHE . . . -163.88 -112.0 0.26 Allowed Glycine 0 CA--C 1.522 0.498 0 N-CA-C 110.624 -0.99 . . . . 0.0 110.624 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.495 ' OG1' ' CE2' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -69.73 6.82 1.03 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.847 0.356 . . . . 0.0 110.295 179.716 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.484 ' H ' ' C ' ' A' ' 58' ' ' GLY . 25.7 m-85 -69.51 -44.44 71.05 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 179.032 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -59.5 -32.77 70.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.721 -1.127 . . . . 0.0 109.336 179.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.8 m -64.58 -33.35 75.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.642 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 65.2 p -63.9 -32.88 74.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.016 0.436 . . . . 0.0 109.91 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.5 mm -63.5 -32.72 57.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 179.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 48.5 ttt-85 -58.22 -31.28 67.22 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.73 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.508 ' O ' ' N ' ' A' ' 70' ' ' ARG . 5.1 tpt180 -55.75 -34.3 65.07 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.8 tp -55.23 -23.35 22.03 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.268 -179.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.1 t -72.14 -48.46 43.44 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -179.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 54.4 p -102.92 -20.52 14.22 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.516 0.198 . . . . 0.0 111.443 -179.057 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.508 ' N ' ' O ' ' A' ' 66' ' ' ARG . 29.9 ttt180 -34.29 -60.85 0.4 Allowed 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.091 -179.484 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 43.3 ptt85 -139.73 168.22 20.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.02 0.438 . . . . 0.0 111.308 -179.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 32.6 ptt180 . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.49 179.621 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -49.78 -50.87 64.91 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.556 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -80.48 -14.13 11.81 Favored 'Trans proline' 0 C--N 1.313 -1.289 0 C-N-CA 122.038 1.825 . . . . 0.0 112.358 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -75.11 -12.02 60.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.476 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -103.35 151.89 22.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.583 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 75.0 m80 -127.56 145.51 50.83 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.568 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -104.86 158.7 31.45 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.345 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -70.92 -31.04 16.01 Favored 'Trans proline' 0 N--CA 1.493 1.448 0 C-N-CA 122.318 2.012 . . . . 0.0 112.181 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -56.49 -32.43 65.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.735 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 41.6 m -57.14 -35.87 70.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.753 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -115.7 136.01 53.48 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.478 ' C ' ' H ' ' A' ' 14' ' ' GLN . 85.0 m-20 -92.22 -1.33 57.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.196 179.637 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -77.89 30.39 0.17 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.267 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.478 ' H ' ' C ' ' A' ' 12' ' ' ASP . 92.0 mm-40 -54.05 -46.35 71.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.551 -179.149 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.3 m -84.43 -35.89 22.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.412 -179.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.9 tp -76.66 -15.77 59.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.521 -179.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -60.99 -46.03 92.4 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.292 -179.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -105.28 7.89 9.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.101 -179.586 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.47 -64.15 3.08 Favored Glycine 0 CA--C 1.527 0.8 0 C-N-CA 120.73 -0.748 . . . . 0.0 111.286 -179.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.91 -35.44 86.91 Favored Glycine 0 CA--C 1.53 0.974 0 C-N-CA 121.231 -0.509 . . . . 0.0 112.478 -178.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.3 mp -64.99 -47.68 76.67 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 -178.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 94.7 t -66.5 -44.56 90.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -178.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.0 pt -69.65 -46.59 74.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 C-N-CA 120.463 -0.495 . . . . 0.0 112.131 -178.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.87 -41.63 82.85 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.084 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.67 -41.99 99.68 Favored Glycine 0 CA--C 1.526 0.781 0 N-CA-C 111.395 -0.682 . . . . 0.0 111.395 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.3 tt -62.33 -36.33 74.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.563 -178.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 34.7 tp -64.94 -47.26 78.3 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.434 -0.507 . . . . 0.0 110.176 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -67.96 -36.41 80.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.337 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.6 tt -66.15 -40.72 87.82 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.416 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.1 mt -64.84 -33.97 77.25 Favored 'General case' 0 N--CA 1.431 -1.376 0 N-CA-C 104.382 -2.451 . . . . 0.0 104.382 174.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.76 -50.42 65.74 Favored Glycine 0 CA--C 1.528 0.844 0 CA-C-N 113.565 -1.652 . . . . 0.0 111.652 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 74.1 mt -70.48 -44.42 77.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.643 0.259 . . . . 0.0 111.423 -179.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.49 -46.23 87.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.899 0.38 . . . . 0.0 110.404 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 54.8 mt -60.57 -43.75 95.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.482 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 31.1 t -56.95 -51.06 73.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.896 -179.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.0 mt -66.5 -32.82 74.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.924 0.392 . . . . 0.0 110.605 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 50.3 m -62.47 -35.15 78.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.21 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.06 -35.75 69.71 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.481 -179.438 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.2 mtm180 -65.17 -28.38 69.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.672 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.58 ' SG ' ' N ' ' A' ' 41' ' ' ARG . 0.5 OUTLIER -61.64 -40.85 96.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.263 -179.5 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.58 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 75.1 ttt180 -63.51 -48.6 76.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.77 0.319 . . . . 0.0 111.022 -179.698 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.3 m -72.28 -34.38 68.14 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.936 -179.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -78.29 -26.71 47.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.623 -179.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.526 ' CE2' ' OG1' ' A' ' 59' ' ' THR . 2.7 t80 -68.12 -27.25 66.29 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.963 -0.295 . . . . 0.0 111.418 -178.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -94.0 113.22 25.16 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.593 -179.556 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -58.24 -37.13 74.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.187 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -62.64 -39.64 94.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.532 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.69 -46.29 63.43 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.639 179.758 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 80.1 ttt-85 -155.71 152.1 28.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.551 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.8 m -82.81 137.18 34.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.521 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.21 -148.62 6.0 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -106.13 102.29 39.05 Favored Pre-proline 0 CA--C 1.542 0.635 0 CA-C-O 119.359 -0.353 . . . . 0.0 110.41 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -54.54 -11.68 3.46 Favored 'Trans proline' 0 N--CA 1.497 1.73 0 C-N-CA 121.593 1.529 . . . . 0.0 112.128 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -48.78 -32.21 8.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.502 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -71.31 100.81 2.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.625 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -66.92 -27.42 67.47 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.242 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -58.01 148.37 26.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.448 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.507 ' C ' ' H ' ' A' ' 60' ' ' PHE . . . 135.89 -88.62 0.23 Allowed Glycine 0 CA--C 1.521 0.465 0 N-CA-C 110.195 -1.162 . . . . 0.0 110.195 -179.675 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.526 ' OG1' ' CE2' ' A' ' 44' ' ' PHE . 99.0 m -56.71 -7.52 0.45 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 179.07 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.507 ' H ' ' C ' ' A' ' 58' ' ' GLY . 86.2 t80 -66.7 -42.9 85.66 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.687 179.601 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 5.1 ttt85 -59.26 -33.32 70.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.752 179.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.1 p -61.88 -33.89 75.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.621 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.4 m -65.52 -31.07 71.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.023 0.44 . . . . 0.0 110.125 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.5 mm -72.15 -33.01 45.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.073 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -57.85 -30.5 65.84 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.834 -179.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.543 ' O ' ' N ' ' A' ' 70' ' ' ARG . 1.1 mpt_? -55.13 -33.15 62.63 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 178.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.25 -22.8 12.65 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.625 -179.445 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.6 t -66.13 -48.84 69.5 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 120.645 -0.422 . . . . 0.0 111.43 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.1 p -106.57 -39.38 5.87 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.728 0.299 . . . . 0.0 110.612 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.543 ' N ' ' O ' ' A' ' 66' ' ' ARG . 16.7 ptt180 30.9 48.32 0.06 Allowed 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.226 179.585 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 42.3 mtm180 -144.29 -70.82 0.29 Allowed 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.836 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 56.4 ttt180 . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 118.087 -0.959 . . . . 0.0 110.595 -179.815 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.87 162.31 72.66 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.417 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -69.19 -25.74 30.94 Favored 'Trans proline' 0 C--N 1.31 -1.46 0 C-N-CA 122.545 2.163 . . . . 0.0 112.1 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 41.3 mttp -75.19 -7.11 52.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.704 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -81.1 147.41 30.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.532 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -103.68 156.5 17.75 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.623 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.511 ' N ' ' OD1' ' A' ' 7' ' ' ASP . 0.0 OUTLIER -59.91 -50.68 85.34 Favored Pre-proline 0 CA--C 1.535 0.376 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.913 -179.871 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -76.06 -11.32 19.61 Favored 'Trans proline' 0 N--CA 1.491 1.369 0 C-N-CA 121.799 1.666 . . . . 0.0 112.934 -179.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -55.82 -31.18 62.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.888 0.375 . . . . 0.0 110.475 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 42.7 m -50.16 -34.62 23.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.87 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -111.98 134.17 53.71 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.422 ' C ' ' H ' ' A' ' 14' ' ' GLN . 53.3 t0 -135.1 1.43 2.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.197 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.419 ' O ' ' N ' ' A' ' 17' ' ' GLN . 22.9 m-85 -80.88 28.74 0.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.248 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.422 ' H ' ' C ' ' A' ' 12' ' ' ASP . 89.1 mm-40 -51.48 -50.75 59.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.418 -179.149 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 82.5 p -83.28 -32.23 26.49 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.996 -0.282 . . . . 0.0 111.325 -179.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.0 tp -80.74 -6.83 59.0 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.184 -179.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 13' ' ' TYR . 6.4 mm-40 -68.95 -50.52 48.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.52 -179.491 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 2.3 mt -96.83 -5.52 9.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.587 -0.278 . . . . 0.0 111.597 -178.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.7 -81.68 0.06 OUTLIER Glycine 0 CA--C 1.528 0.894 0 N-CA-C 111.747 -0.541 . . . . 0.0 111.747 -179.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -44.38 -32.35 2.67 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 112.191 -0.364 . . . . 0.0 112.191 -178.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 21.4 mt -69.26 -46.32 67.57 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -178.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 54.7 t -68.34 -49.23 68.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -178.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 6.2 pt -63.99 -41.34 92.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 C-N-CA 120.803 -0.359 . . . . 0.0 111.424 -179.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.46 -43.82 96.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.865 0.364 . . . . 0.0 110.713 -179.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.68 -37.48 94.31 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 82.9 mt -62.01 -43.09 97.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 121.036 -0.266 . . . . 0.0 111.28 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 tt -61.19 -47.22 87.13 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.006 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -70.36 -38.85 74.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.03 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 18.6 mt -59.69 -45.43 94.42 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.493 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.2 mt -64.08 -33.22 75.26 Favored 'General case' 0 N--CA 1.431 -1.389 0 N-CA-C 104.377 -2.453 . . . . 0.0 104.377 175.277 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -55.91 -52.31 49.66 Favored Glycine 0 CA--C 1.534 1.261 0 CA-C-N 113.841 -1.527 . . . . 0.0 111.8 -179.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 12.6 mm -70.49 -44.97 76.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 117.265 0.532 . . . . 0.0 111.54 -179.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.426 ' O ' ' OG ' ' A' ' 37' ' ' SER . 97.0 mt -60.14 -47.08 87.41 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.924 0.393 . . . . 0.0 110.118 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 58.0 mt -60.54 -46.43 95.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.591 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 96.5 t -56.8 -52.07 59.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 120.697 -0.401 . . . . 0.0 111.004 -179.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.9 mp -65.4 -33.36 75.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.808 0.337 . . . . 0.0 110.471 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.426 ' OG ' ' O ' ' A' ' 33' ' ' LEU . 68.8 m -61.6 -36.06 79.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.333 -179.785 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.436 ' NH1' ' NH2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -57.92 -34.24 69.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.956 -179.468 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 75.5 mtp85 -63.35 -29.92 71.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.782 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 60.5 m -59.18 -45.26 91.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.212 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.436 ' NH2' ' NH1' ' A' ' 38' ' ' ARG . 40.5 ttp180 -58.17 -42.64 86.46 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.878 0.371 . . . . 0.0 110.834 -179.7 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.6 m -75.87 -34.67 60.03 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.685 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -77.94 -28.81 49.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.598 -179.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.413 ' CD1' ' C ' ' A' ' 44' ' ' PHE . 24.8 t80 -65.77 -47.46 75.12 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.619 -178.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.504 ' ND2' ' OE1' ' A' ' 47' ' ' GLN . 5.4 p30 -99.02 162.67 12.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.808 0.337 . . . . 0.0 110.808 -179.63 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.53 ' C ' ' H ' ' A' ' 48' ' ' GLN . 98.0 mt-30 -56.73 -17.22 8.23 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.137 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.504 ' OE1' ' ND2' ' A' ' 45' ' ' ASN . 97.6 mt-30 -53.56 -7.3 0.1 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.579 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.53 ' H ' ' C ' ' A' ' 46' ' ' GLN . 8.3 pt20 -55.42 -31.46 61.89 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.97 0.414 . . . . 0.0 109.958 179.645 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 60.0 ttm-85 -131.99 144.72 50.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.063 179.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 81.6 p -69.87 143.38 52.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.452 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -178.17 -129.41 1.27 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.21 157.89 80.32 Favored Pre-proline 0 C--N 1.329 -0.326 0 C-N-CA 121.222 -0.191 . . . . 0.0 110.699 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -39.09 161.24 0.02 OUTLIER 'Trans proline' 0 C--N 1.314 -1.281 0 C-N-CA 122.47 2.113 . . . . 0.0 112.139 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.483 ' CG ' HE21 ' A' ' 47' ' ' GLN . 76.8 m-20 -70.07 137.56 51.31 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.65 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -102.78 -74.17 0.64 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.89 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -67.67 -76.43 0.09 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.976 -179.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 54.45 97.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.455 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 151.84 76.49 0.02 OUTLIER Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 -179.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.524 ' OG1' ' N ' ' A' ' 60' ' ' PHE . 0.1 OUTLIER -87.59 -166.54 1.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.407 -0.22 . . . . 0.0 110.407 -179.629 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.524 ' N ' ' OG1' ' A' ' 59' ' ' THR . 18.5 m-85 -70.09 -44.58 68.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.998 0.428 . . . . 0.0 110.785 -179.456 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.713 ' HE ' ' H ' ' A' ' 61' ' ' ARG . 0.2 OUTLIER -60.6 -32.04 71.17 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.772 179.489 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.8 t -60.86 -32.29 71.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.619 -179.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 84.5 p -63.15 -31.54 72.71 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.99 -178.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -63.46 -31.08 51.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.777 0.322 . . . . 0.0 110.27 179.115 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -56.88 -31.06 64.47 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.526 ' O ' ' N ' ' A' ' 70' ' ' ARG . 5.2 mtt180 -58.03 -34.49 70.11 Favored 'General case' 0 C--O 1.222 -0.391 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 178.385 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.8 tp -56.12 -23.75 36.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.249 -179.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 25.4 m -65.49 -48.57 72.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.489 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 68.1 p -105.02 -35.44 7.65 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.046 0.45 . . . . 0.0 110.463 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.526 ' N ' ' O ' ' A' ' 66' ' ' ARG . 18.0 mtp180 69.3 -79.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.322 -0.854 . . . . 0.0 112.22 179.157 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -129.18 154.78 46.42 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.179 0.514 . . . . 0.0 111.37 -178.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 118.07 -0.967 . . . . 0.0 110.587 -179.996 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 t -133.14 58.5 35.33 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.591 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -71.2 -10.67 27.69 Favored 'Trans proline' 0 C--N 1.306 -1.694 0 C-N-CA 122.697 2.264 . . . . 0.0 112.078 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 18.5 mmtp -74.96 -4.86 40.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.614 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -96.28 154.7 17.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.666 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 31.2 t60 -104.75 135.75 45.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.418 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.6 161.3 26.32 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.435 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.411 ' O ' ' O ' ' A' ' 11' ' ' TYR . 44.6 Cg_endo -70.4 -37.71 7.3 Favored 'Trans proline' 0 C--N 1.311 -1.427 0 C-N-CA 122.456 2.104 . . . . 0.0 112.124 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -53.1 -41.55 65.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.746 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 27.9 m -65.66 -39.96 91.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.82 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.606 ' CD2' ' NE2' ' A' ' 14' ' ' GLN . 39.5 t80 -138.61 131.47 29.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.746 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.629 ' N ' HE21 ' A' ' 14' ' ' GLN . 0.0 OUTLIER 158.24 -32.08 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.356 179.698 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -78.15 30.89 0.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.432 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.629 HE21 ' N ' ' A' ' 12' ' ' ASP . 46.0 mm-40 -51.93 -51.47 56.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.508 -179.208 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 83.6 p -83.14 -32.88 26.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.78 0.324 . . . . 0.0 111.533 -179.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.8 tp -79.77 -7.9 58.93 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.46 -178.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -68.58 -52.87 26.98 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.921 -0.312 . . . . 0.0 111.057 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -94.12 -2.0 10.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.058 -179.427 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -53.58 -99.59 0.01 OUTLIER Glycine 0 CA--C 1.529 0.91 0 N-CA-C 111.823 -0.511 . . . . 0.0 111.823 -179.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -38.84 -35.08 0.32 Allowed Glycine 0 CA--C 1.527 0.827 0 N-CA-C 112.199 -0.361 . . . . 0.0 112.199 -179.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.0 mp -57.61 -51.23 70.34 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.629 -0.429 . . . . 0.0 110.922 -179.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 73.2 t -67.42 -49.39 71.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.3 -179.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.3 mm -56.8 -46.27 83.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.883 -179.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.8 -38.07 74.87 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.537 -0.465 . . . . 0.0 109.768 179.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.0 -42.24 96.81 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.486 -0.645 . . . . 0.0 111.486 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.6 mm -64.52 -44.6 96.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 C-N-CA 120.546 -0.462 . . . . 0.0 111.49 -179.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 24.8 tp -57.11 -47.19 81.69 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.565 -0.454 . . . . 0.0 111.387 -178.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -71.63 -36.76 70.86 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.35 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 34.9 mt -65.25 -45.83 92.49 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.326 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.8 tp -64.68 -34.39 78.18 Favored 'General case' 0 N--CA 1.437 -1.094 0 N-CA-C 104.746 -2.316 . . . . 0.0 104.746 176.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.92 -49.96 67.47 Favored Glycine 0 CA--C 1.532 1.096 0 CA-C-N 113.363 -1.744 . . . . 0.0 111.203 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 75.8 mt -70.35 -44.95 77.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.638 0.256 . . . . 0.0 111.391 -179.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.33 -46.35 90.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.076 0.465 . . . . 0.0 109.877 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.4 mt -59.97 -46.11 94.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.414 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 56.0 t -56.81 -52.26 57.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.851 -179.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 79.4 mt -66.25 -33.88 76.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.531 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.498 ' O ' ' SG ' ' A' ' 40' ' ' CYS . 59.7 m -61.91 -35.28 77.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.278 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.7 mmt180 -56.86 -31.84 65.21 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.618 -179.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.673 HH12 ' NZ ' ' A' ' 43' ' ' LYS . 19.6 mtp-105 -67.13 -31.73 72.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.642 179.763 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.516 ' SG ' ' N ' ' A' ' 41' ' ' ARG . 1.7 p -57.93 -38.17 75.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.488 -179.648 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.516 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 37.1 ttp180 -63.45 -43.92 96.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.624 0.25 . . . . 0.0 111.306 -179.586 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 21.7 m -75.12 -38.97 60.93 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.284 -179.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.673 ' NZ ' HH12 ' A' ' 39' ' ' ARG . 39.7 mtmt -72.85 -23.13 60.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.808 -179.2 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.478 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 49.5 t80 -67.53 -48.72 66.2 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.351 -0.54 . . . . 0.0 112.187 -178.406 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.478 ' CB ' ' O ' ' A' ' 44' ' ' PHE . 0.8 OUTLIER 155.62 -5.58 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.795 0 O-C-N 123.724 0.64 . . . . 0.0 110.054 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -56.74 -31.63 64.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.103 -179.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -60.22 -22.53 63.12 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.505 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -58.05 -45.14 87.53 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.77 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -150.31 -95.21 0.07 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.643 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.0 t -169.05 -9.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.684 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 105.1 116.39 4.21 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.433 ' O ' ' O ' ' A' ' 53' ' ' PRO . 6.1 pt-20 -78.45 152.03 78.11 Favored Pre-proline 0 CA--C 1.536 0.439 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' A' ' 55' ' ' GLU . 31.4 Cg_exo -47.27 -176.59 0.0 OUTLIER 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 121.979 1.786 . . . . 0.0 112.622 179.329 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 58.6 -81.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.986 179.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.515 ' O ' ' N ' ' A' ' 57' ' ' GLU . 78.5 mm-40 -55.61 -59.94 4.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.823 0.344 . . . . 0.0 110.601 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 42.12 19.2 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.093 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.515 ' N ' ' O ' ' A' ' 55' ' ' GLU . 5.6 mm-40 -84.09 100.12 10.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.448 179.722 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -96.15 -84.36 1.69 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.428 ' OG1' ' OG ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -130.1 179.39 5.91 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.741 0.305 . . . . 0.0 110.452 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -69.53 -44.35 71.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.314 0.578 . . . . 0.0 109.686 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -64.13 -32.14 73.6 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.838 178.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.428 ' OG ' ' OG1' ' A' ' 59' ' ' THR . 18.2 m -60.39 -32.62 71.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.564 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 55.7 p -63.63 -25.94 68.45 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.206 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.2 tp -65.34 -33.37 63.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.028 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 90.3 mtm-85 -59.52 -31.19 69.16 Favored 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.539 ' O ' ' N ' ' A' ' 70' ' ' ARG . 2.6 mmp_? -55.88 -36.71 67.91 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 179.683 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.413 ' O ' ' O ' ' A' ' 71' ' ' ARG . 50.0 mt -57.34 -26.92 61.72 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.716 -0.393 . . . . 0.0 110.736 179.66 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.6 t -64.11 -48.2 77.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.421 -179.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.641 ' HG1' ' N ' ' A' ' 70' ' ' ARG . 7.5 p -102.51 -39.17 7.23 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.881 0.372 . . . . 0.0 110.838 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.641 ' N ' ' HG1' ' A' ' 69' ' ' THR . 14.7 ttp180 -62.9 -68.31 0.35 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.845 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.413 ' O ' ' O ' ' A' ' 67' ' ' LEU . 0.8 OUTLIER -148.67 125.75 11.38 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.918 -179.61 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 . . . . . 0 C--O 1.221 -0.413 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.662 179.874 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 . . . . . 0 N--CA 1.489 1.481 0 N-CA-C 109.408 -0.589 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.53 162.52 54.37 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.576 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -71.02 -20.67 28.62 Favored 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 122.656 2.237 . . . . 0.0 112.307 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 38.3 mmtm -74.79 -19.69 60.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.686 -179.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -62.37 -25.32 67.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.602 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 3.6 m80 -78.78 150.66 32.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.618 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.431 ' N ' ' CD ' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -86.66 -49.52 0.48 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.69 -179.849 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.431 ' CD ' ' N ' ' A' ' 7' ' ' ASP . 43.0 Cg_endo -78.65 -19.36 11.4 Favored 'Trans proline' 0 C--N 1.314 -1.259 0 C-N-CA 122.076 1.851 . . . . 0.0 112.66 -179.24 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -57.97 -36.38 72.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.892 0.377 . . . . 0.0 110.432 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 85.5 m -58.02 -34.99 70.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.716 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -106.72 134.44 49.86 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.619 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.521 ' C ' ' H ' ' A' ' 14' ' ' GLN . 83.9 m-20 -80.17 -17.35 52.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.503 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.457 ' O ' ' N ' ' A' ' 17' ' ' GLN . 53.0 m-85 -73.37 34.31 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.506 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.521 ' H ' ' C ' ' A' ' 12' ' ' ASP . 57.1 mt-30 -51.43 -52.36 46.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.771 -179.484 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 93.3 p -83.13 -32.19 26.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.795 0.331 . . . . 0.0 110.973 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 tp -79.69 -3.06 45.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.002 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 13' ' ' TYR . 18.2 tt0 -76.89 -42.51 39.51 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.439 -179.338 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.424 ' O ' ' O ' ' A' ' 19' ' ' GLY . 0.3 OUTLIER -102.99 -16.65 7.41 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 CA-C-O 120.772 0.32 . . . . 0.0 111.146 -178.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.52 ' O ' ' N ' ' A' ' 21' ' ' LEU . . . -42.29 -98.03 0.01 OUTLIER Glycine 0 CA--C 1.527 0.788 0 C-N-CA 121.257 -0.497 . . . . 0.0 111.922 -179.114 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -35.58 -26.92 0.01 OUTLIER Glycine 0 CA--C 1.525 0.706 0 N-CA-C 112.226 -0.35 . . . . 0.0 112.226 -179.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.52 ' N ' ' O ' ' A' ' 19' ' ' GLY . 2.9 mp -68.6 -51.46 42.17 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.105 -179.688 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.4 t -68.4 -49.76 63.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.196 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 36.7 mm -55.45 -45.05 78.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-O 120.913 0.387 . . . . 0.0 110.367 -179.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.67 -37.68 76.55 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.885 179.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.94 -37.92 95.33 Favored Glycine 0 CA--C 1.528 0.874 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.046 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 12.6 mm -66.87 -44.65 88.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 C-N-CA 120.317 -0.553 . . . . 0.0 111.519 -179.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 34.2 tp -60.69 -47.87 84.35 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 120.82 0.343 . . . . 0.0 111.37 -178.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -69.55 -38.06 77.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.79 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.9 mt -60.73 -43.69 95.68 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.704 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 mp -63.85 -33.44 75.69 Favored 'General case' 0 N--CA 1.432 -1.372 0 N-CA-C 104.914 -2.254 . . . . 0.0 104.914 175.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.19 -50.64 60.84 Favored Glycine 0 CA--C 1.531 1.053 0 CA-C-N 114.223 -1.353 . . . . 0.0 111.559 -179.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.8 mm -70.12 -44.48 78.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.951 0.375 . . . . 0.0 111.576 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.4 mt -63.65 -47.92 79.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.057 0.456 . . . . 0.0 110.736 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 72.6 mt -60.37 -44.82 96.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.615 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 40.5 t -56.44 -52.2 55.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.546 -179.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 83.0 mt -66.27 -31.85 72.91 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.346 179.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.1 t -61.46 -37.04 82.15 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.144 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.9 mtt85 -57.76 -40.1 78.97 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.644 -179.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 71.7 mtt85 -57.53 -28.35 63.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.6 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 30.8 m -61.03 -49.27 78.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.048 -179.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.8 mtm180 -54.8 -38.84 67.8 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.808 -179.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.3 m -77.03 -38.02 53.7 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.706 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -76.09 -27.68 57.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.455 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -65.25 -48.44 73.24 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.779 -0.368 . . . . 0.0 111.652 -178.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -89.33 108.82 19.84 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.685 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.425 ' O ' ' O ' ' A' ' 49' ' ' ARG . 12.0 mt-30 -63.79 -31.89 73.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.715 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 59.8 mm-40 -55.43 -37.89 68.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.722 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -66.57 -41.32 88.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.734 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.425 ' O ' ' O ' ' A' ' 46' ' ' GLN . 4.5 mtt-85 -141.78 -121.07 0.1 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.78 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 84.8 m -144.69 133.56 22.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.456 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -167.48 -177.24 38.85 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -84.63 157.23 61.35 Favored Pre-proline 0 CA--C 1.531 0.249 0 N-CA-C 110.14 -0.318 . . . . 0.0 110.14 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -39.29 159.39 0.03 OUTLIER 'Trans proline' 0 C--N 1.314 -1.261 0 C-N-CA 122.375 2.05 . . . . 0.0 112.221 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -84.44 132.7 34.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.595 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -121.66 -59.1 1.71 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.569 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -69.29 -81.77 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.704 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.432 ' CG ' ' N ' ' A' ' 58' ' ' GLY . 2.2 tt0 -168.16 -103.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.543 -0.463 . . . . 0.0 111.399 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.434 ' C ' ' H ' ' A' ' 60' ' ' PHE . . . 119.22 -49.51 0.87 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 109.931 -1.268 . . . . 0.0 109.931 -179.124 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.7 m -79.67 15.76 1.27 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.221 0.534 . . . . 0.0 109.566 179.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.434 ' H ' ' C ' ' A' ' 58' ' ' GLY . 6.6 t80 -69.26 -44.39 71.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.709 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 26.2 ttt180 -62.27 -33.06 73.91 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.639 179.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.17 -33.32 73.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.898 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 82.6 p -63.72 -31.74 73.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.11 0.481 . . . . 0.0 109.819 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.1 tt -62.91 -32.97 57.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.467 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.1 mmt85 -57.5 -29.71 64.53 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 179.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.541 ' O ' ' N ' ' A' ' 70' ' ' ARG . 39.1 ttm180 -54.95 -34.92 63.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.512 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.0 mt -62.26 -22.59 66.11 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.891 -0.324 . . . . 0.0 111.178 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.2 t -64.38 -49.24 72.38 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.653 -0.419 . . . . 0.0 111.186 -178.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.649 ' HG1' ' N ' ' A' ' 70' ' ' ARG . 18.8 p -107.3 -39.48 5.67 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.147 0.499 . . . . 0.0 109.999 179.395 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.649 ' N ' ' HG1' ' A' ' 69' ' ' THR . 18.9 ptt85 31.92 92.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 114.763 -1.108 . . . . 0.0 111.929 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -155.67 155.53 33.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.572 179.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.412 HH11 ' CG ' ' A' ' 72' ' ' ARG . 7.7 mtt-85 . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.398 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 t -133.3 58.7 36.15 Favored Pre-proline 0 C--N 1.331 -0.209 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.603 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -71.51 -11.89 28.76 Favored 'Trans proline' 0 C--N 1.307 -1.626 0 C-N-CA 122.642 2.228 . . . . 0.0 112.179 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 23.3 mmtp -74.9 -8.62 57.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.534 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -68.97 146.5 52.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.464 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -83.25 -13.54 55.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.665 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.05 161.36 76.02 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.5 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -70.03 141.2 43.53 Favored 'Trans proline' 0 C--N 1.31 -1.473 0 C-N-CA 122.5 2.134 . . . . 0.0 112.063 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -102.13 132.49 47.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.477 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 39.2 p -106.44 150.56 25.94 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.535 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -113.5 138.85 49.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.518 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 53.8 p30 -80.41 -7.94 59.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.984 0.421 . . . . 0.0 110.304 179.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -86.0 31.12 0.64 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.77 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -51.08 -46.48 61.77 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.769 -178.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 74.5 p -83.91 -32.39 25.16 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -178.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.1 tp -79.17 -12.0 59.98 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -178.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -64.25 -52.46 58.58 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.543 -0.463 . . . . 0.0 111.143 -179.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 10.7 mm -93.24 -11.8 9.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.969 0.414 . . . . 0.0 110.948 -179.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -43.48 -96.91 0.01 OUTLIER Glycine 0 CA--C 1.531 1.056 0 C-N-CA 121.398 -0.43 . . . . 0.0 112.254 -179.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -39.69 -37.14 0.84 Allowed Glycine 0 CA--C 1.528 0.896 0 N-CA-C 112.632 -0.187 . . . . 0.0 112.632 -178.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.1 mp -54.74 -50.71 67.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 117.117 0.458 . . . . 0.0 111.012 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 58.9 t -67.5 -49.07 74.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.421 -179.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.3 mm -56.86 -46.26 83.53 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.167 0 CA-C-O 120.889 0.376 . . . . 0.0 110.778 -179.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.36 -34.99 76.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.982 0.42 . . . . 0.0 110.293 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.75 -41.45 97.61 Favored Glycine 0 CA--C 1.526 0.735 0 CA-C-N 115.793 -0.639 . . . . 0.0 112.296 -179.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -69.37 -38.93 78.22 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 CA-C-N 117.543 0.671 . . . . 0.0 112.125 -178.489 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.2 tt -64.46 -47.7 78.03 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.036 0.446 . . . . 0.0 111.332 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -71.48 -37.27 71.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.109 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 12.1 mt -61.3 -47.17 94.71 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.794 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 178.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.4 mt -59.76 -33.44 71.67 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 105.09 -2.189 . . . . 0.0 105.09 175.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.34 -48.86 72.31 Favored Glycine 0 CA--C 1.53 1.017 0 CA-C-N 114.285 -1.325 . . . . 0.0 111.219 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 87.5 mt -70.39 -45.03 76.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -179.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.429 ' O ' ' OG ' ' A' ' 37' ' ' SER . 85.0 mt -63.73 -44.84 92.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.172 0.511 . . . . 0.0 110.286 -179.659 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 48.9 mt -60.29 -46.23 95.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.476 -179.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 52.9 t -56.69 -52.0 59.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.796 -179.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 78.1 mt -66.23 -33.0 74.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.599 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.429 ' OG ' ' O ' ' A' ' 33' ' ' LEU . 52.3 m -64.28 -35.82 82.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.163 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -57.34 -33.0 67.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.641 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 23.4 ttt180 -64.96 -29.38 70.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.674 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 48.5 m -59.08 -48.36 81.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.529 -179.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 49.6 ttm-85 -55.23 -43.06 74.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.033 -179.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -78.97 -31.87 45.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.092 -179.358 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.6 mmtm -78.58 -28.01 45.75 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.46 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 2.5 m-85 -65.75 -49.84 66.92 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.37 -0.532 . . . . 0.0 112.101 -178.116 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 44' ' ' PHE . 11.7 m-20 150.54 140.52 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.951 0 O-C-N 123.889 0.743 . . . . 0.0 110.165 179.636 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -80.24 -25.17 39.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.924 0.392 . . . . 0.0 110.488 179.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -64.71 -18.02 64.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.509 -179.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 92.6 mm-40 -55.72 -25.77 41.93 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.954 -0.298 . . . . 0.0 110.805 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 53.8 ttt180 -72.41 105.47 4.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.403 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 66.4 p 41.44 65.63 0.81 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.647 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -130.15 -137.18 4.14 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -80.68 157.26 72.32 Favored Pre-proline 0 C--N 1.33 -0.278 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -39.07 146.5 0.16 Allowed 'Trans proline' 0 C--N 1.314 -1.256 0 C-N-CA 122.181 1.921 . . . . 0.0 112.21 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.9 p-10 -115.23 173.01 6.72 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.707 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -95.91 -170.03 2.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.432 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -57.04 -33.69 67.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.489 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -102.16 165.44 11.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.185 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.519 ' C ' ' H ' ' A' ' 60' ' ' PHE . . . 78.44 144.45 2.5 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.407 -1.077 . . . . 0.0 110.407 -179.584 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.8 m 60.96 1.49 0.46 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.941 0.4 . . . . 0.0 110.127 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.519 ' H ' ' C ' ' A' ' 58' ' ' GLY . 83.4 t80 -69.39 -43.96 72.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.407 0.622 . . . . 0.0 109.724 179.691 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 34.5 ttt85 -64.59 -32.05 73.53 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.964 -1.016 . . . . 0.0 109.579 178.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 18.7 p -66.1 -33.61 76.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.283 -179.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 77.5 p -64.58 -28.4 69.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.739 0.304 . . . . 0.0 110.558 -179.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.3 tp -62.69 -31.67 52.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.783 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -56.91 -29.41 63.02 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.531 ' O ' ' N ' ' A' ' 70' ' ' ARG . 1.8 ptm85 -54.16 -34.85 61.43 Favored 'General case' 0 C--O 1.223 -0.325 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 179.398 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.6 tp -56.89 -26.6 59.24 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.693 179.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.6 m -71.48 -48.0 51.91 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.771 -179.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 8.8 t -98.3 -37.49 9.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.706 0.289 . . . . 0.0 111.617 -178.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.531 ' N ' ' O ' ' A' ' 66' ' ' ARG . 6.6 ttm180 -57.29 -55.46 34.42 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 120.701 -0.4 . . . . 0.0 111.056 -179.125 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.9 ttt85 -120.85 140.3 51.97 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.962 0.41 . . . . 0.0 110.827 -179.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 78.3 mtp180 . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.593 179.748 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 . . . . . 0 N--CA 1.461 0.081 0 CA-C-O 120.919 0.39 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -51.46 -48.24 62.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 82.4 p -84.52 -32.36 23.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 112.025 -179.369 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 tp -80.69 -4.05 52.93 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -178.67 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -73.75 -47.09 41.75 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.62 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.647 HG22 HG23 ' A' ' 22' ' ' VAL . 13.9 mm -95.96 -27.38 4.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 120.674 0.273 . . . . 0.0 111.396 -179.154 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -37.51 -81.88 0.02 OUTLIER Glycine 0 CA--C 1.528 0.896 0 CA-C-N 116.168 -0.469 . . . . 0.0 112.128 -179.221 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.462 ' HA2' HD11 ' A' ' 23' ' ' ILE . . . -42.36 -37.84 2.62 Favored Glycine 0 CA--C 1.529 0.913 0 N-CA-C 112.22 -0.352 . . . . 0.0 112.22 -179.016 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.7 mt -65.44 -44.2 88.07 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -178.529 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.647 HG23 HG22 ' A' ' 18' ' ' ILE . 18.3 t -68.32 -49.28 68.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -178.479 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.462 HD11 ' HA2' ' A' ' 20' ' ' GLY . 8.3 pt -65.0 -41.77 92.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 120.976 -0.29 . . . . 0.0 111.517 -178.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.14 -45.07 94.28 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.193 0.52 . . . . 0.0 110.224 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.92 -36.2 93.1 Favored Glycine 0 CA--C 1.525 0.665 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.61 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -65.65 -36.05 76.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.415 -0.514 . . . . 0.0 110.867 -179.327 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.7 tp -64.87 -47.37 78.11 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.48 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -71.13 -36.39 72.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.465 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 30.6 mt -65.19 -44.99 95.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 179.264 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.6 tp -64.77 -34.28 77.98 Favored 'General case' 0 N--CA 1.436 -1.161 0 N-CA-C 105.27 -2.122 . . . . 0.0 105.27 176.704 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.511 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -59.5 -52.35 53.62 Favored Glycine 0 CA--C 1.531 1.034 0 CA-C-N 113.15 -1.841 . . . . 0.0 111.544 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 87.7 mt -63.96 -44.59 97.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.608 0.242 . . . . 0.0 111.161 -179.369 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.4 mt -63.62 -44.27 94.41 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 23.5 mt -61.03 -45.75 97.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.247 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 31' ' ' GLY . 49.3 t -57.05 -52.16 59.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.108 -179.068 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 76.8 mt -66.36 -32.28 73.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.636 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.446 ' O ' ' SG ' ' A' ' 40' ' ' CYS . 73.6 m -61.26 -35.84 78.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.563 -179.374 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -57.2 -34.15 68.24 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.572 -179.214 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 44.7 mmt-85 -63.34 -31.25 72.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.458 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.58 ' SG ' ' N ' ' A' ' 41' ' ' ARG . 0.8 OUTLIER -59.57 -39.27 83.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.704 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.58 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 76.6 mtt-85 -62.58 -45.47 92.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.053 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 7.8 m -79.0 -33.55 44.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.055 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -72.94 -30.28 63.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.379 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -65.59 -47.25 76.38 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.049 0.388 . . . . 0.0 112.049 -178.67 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.38 0 C-N-CA 120.574 -0.45 . . . . 0.0 111.011 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 . . . . . 0 CA--C 1.524 -0.038 0 CA-C-O 120.763 0.316 . . . . 0.0 110.372 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -51.98 -49.79 62.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.103 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 83.7 p -84.53 -32.73 23.73 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.826 -0.349 . . . . 0.0 111.275 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 tp -79.07 -5.55 54.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.301 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -72.83 -53.34 11.74 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.871 -0.332 . . . . 0.0 111.22 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.518 HG22 HG23 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -91.22 -4.95 10.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.806 0.336 . . . . 0.0 111.369 -179.279 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 21' ' ' LEU . . . -51.08 -105.34 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 C-N-CA 121.194 -0.527 . . . . 0.0 111.844 -179.419 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -33.51 -32.52 0.01 OUTLIER Glycine 0 CA--C 1.528 0.886 0 CA-C-N 115.612 -0.294 . . . . 0.0 112.714 -178.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 19' ' ' GLY . 28.6 mt -63.91 -51.03 66.39 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.919 -179.442 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.518 HG23 HG22 ' A' ' 18' ' ' ILE . 78.1 t -67.81 -49.65 67.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.861 -0.336 . . . . 0.0 111.063 -179.578 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.9 mm -57.65 -45.95 86.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.525 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.42 -37.37 72.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.057 0.456 . . . . 0.0 110.028 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.37 -41.1 99.44 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.395 -0.682 . . . . 0.0 111.395 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.6 mm -64.52 -44.44 96.89 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.151 0 C-N-CA 120.385 -0.526 . . . . 0.0 111.319 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 30.4 tp -58.14 -47.82 82.14 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 120.654 0.264 . . . . 0.0 111.538 -178.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.403 ' O ' ' N ' ' A' ' 31' ' ' GLY . 17.2 m-85 -70.54 -41.12 72.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.766 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.9 mt -58.7 -44.75 90.6 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.377 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.8 mp -63.76 -33.63 76.08 Favored 'General case' 0 N--CA 1.434 -1.268 0 N-CA-C 104.511 -2.403 . . . . 0.0 104.511 175.462 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . -56.33 -51.48 55.87 Favored Glycine 0 CA--C 1.533 1.182 0 CA-C-N 113.669 -1.605 . . . . 0.0 111.937 -179.381 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 15.4 mm -70.51 -44.71 76.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 116.86 0.33 . . . . 0.0 111.333 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.9 mt -61.01 -46.18 91.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.173 0.511 . . . . 0.0 110.031 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.3 mt -60.21 -44.67 95.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.824 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 34.4 t -59.5 -52.92 55.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 N-CA-C 112.138 0.422 . . . . 0.0 112.138 -178.27 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.2 mp -66.63 -31.84 72.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.951 0.405 . . . . 0.0 110.271 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.49 ' O ' ' SG ' ' A' ' 40' ' ' CYS . 21.8 m -60.77 -35.82 77.4 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.346 -179.462 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -57.13 -37.08 71.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.853 0.359 . . . . 0.0 110.535 -179.476 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 52.6 ttt85 -60.45 -29.38 68.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.414 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.574 ' SG ' ' N ' ' A' ' 41' ' ' ARG . 0.8 OUTLIER -59.86 -40.78 89.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.968 -179.816 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.574 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 56.5 ttt85 -61.22 -44.84 96.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.83 0.348 . . . . 0.0 110.485 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.3 m -72.75 -46.18 54.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.576 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.2 tttm -67.09 -27.63 67.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.158 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -66.29 -45.52 80.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.396 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 . . . . . 0 C--N 1.329 -0.299 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.533 -179.694 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 . . . . . 0 CA--C 1.526 0.05 0 CA-C-O 120.592 0.234 . . . . 0.0 110.793 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 71.0 tp60 -51.46 -52.13 49.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.035 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 83.7 p -83.81 -30.72 26.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.405 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 tp -82.14 -3.35 54.68 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.435 -179.262 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.519 ' O ' ' NE2' ' A' ' 17' ' ' GLN . 19.7 tp60 -77.48 -45.26 26.18 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.236 -179.575 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.592 ' O ' HG22 ' A' ' 18' ' ' ILE . 42.4 mm -100.31 -5.0 9.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.668 0.271 . . . . 0.0 111.111 -179.526 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 21' ' ' LEU . . . -50.02 -99.43 0.01 OUTLIER Glycine 0 CA--C 1.528 0.9 0 C-N-CA 121.206 -0.521 . . . . 0.0 111.955 -179.412 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -36.32 -29.3 0.02 OUTLIER Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.961 -0.455 . . . . 0.0 111.961 -179.128 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 19' ' ' GLY . 3.4 mp -62.26 -51.43 67.76 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.871 -0.332 . . . . 0.0 111.072 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.1 t -69.32 -49.48 60.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.068 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 79.3 mt -58.49 -46.28 89.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.942 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.77 -45.6 82.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.99 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.48 -35.44 91.07 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 111.504 -0.638 . . . . 0.0 111.504 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 83.9 mt -64.33 -44.46 97.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -178.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 54.7 mt -63.62 -47.55 80.94 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.824 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.47 ' CE1' HD11 ' A' ' 32' ' ' ILE . 56.4 t80 -66.73 -39.17 87.85 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.829 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 18.5 mt -63.94 -41.13 91.53 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.365 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.0 mt -64.7 -33.97 77.22 Favored 'General case' 0 N--CA 1.435 -1.196 0 N-CA-C 104.902 -2.258 . . . . 0.0 104.902 175.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.416 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -56.95 -52.23 52.42 Favored Glycine 0 CA--C 1.531 1.088 0 CA-C-N 113.184 -1.825 . . . . 0.0 111.699 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.47 HD11 ' CE1' ' A' ' 28' ' ' PHE . 31.9 mm -66.01 -44.84 92.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.225 0 O-C-N 122.575 -0.368 . . . . 0.0 111.333 -179.285 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 91.1 mt -63.6 -44.25 94.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.052 0.454 . . . . 0.0 110.1 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 32.0 mt -60.69 -47.74 91.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.371 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 31' ' ' GLY . 41.2 t -56.87 -52.68 52.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.164 -179.142 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 82.9 mt -66.29 -33.83 76.62 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.744 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 73.5 m -61.54 -36.63 81.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.304 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -57.5 -37.25 72.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.873 0.368 . . . . 0.0 110.83 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.589 ' HD3' ' HZ2' ' A' ' 43' ' ' LYS . 56.7 ttt180 -59.61 -27.59 66.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.595 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 35.4 m -60.33 -44.7 95.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.987 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -56.96 -41.44 78.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.559 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.57 -36.37 57.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.589 ' HZ2' ' HD3' ' A' ' 39' ' ' ARG . 66.4 mttt -76.73 -30.31 56.57 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.52 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.601 ' CE2' ' ND2' ' A' ' 45' ' ' ASN . 39.0 t80 -65.25 -48.47 73.15 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.62 -178.807 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.601 ' ND2' ' CE2' ' A' ' 44' ' ' PHE . 65.8 m-20 . . . . . 0 C--N 1.328 -0.369 0 CA-C-O 120.747 0.308 . . . . 0.0 110.639 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.423 ' O ' ' N ' ' A' ' 17' ' ' GLN . 58.0 m-85 . . . . . 0 N--CA 1.46 0.031 0 CA-C-O 120.753 0.311 . . . . 0.0 110.527 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -51.7 -50.28 60.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.275 -179.216 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 83.0 p -84.28 -34.64 23.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.575 -179.396 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 tp -77.53 -14.12 59.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.626 -179.069 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 13' ' ' TYR . 26.9 tt0 -66.03 -49.68 66.88 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.909 -0.316 . . . . 0.0 111.402 -179.451 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.728 HG22 HG23 ' A' ' 22' ' ' VAL . 6.4 mt -93.85 -12.68 8.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.862 0.363 . . . . 0.0 111.161 -179.196 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -44.37 -96.44 0.01 OUTLIER Glycine 0 CA--C 1.528 0.847 0 C-N-CA 121.232 -0.508 . . . . 0.0 111.933 -179.339 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -37.01 -35.78 0.15 Allowed Glycine 0 CA--C 1.528 0.898 0 N-CA-C 112.133 -0.387 . . . . 0.0 112.133 -178.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.3 mt -58.8 -50.27 74.58 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 122.615 -0.344 . . . . 0.0 111.613 -179.102 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.728 HG23 HG22 ' A' ' 18' ' ' ILE . 73.4 t -69.22 -47.1 75.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.679 0.276 . . . . 0.0 111.599 -179.137 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 81.7 mt -62.44 -46.25 96.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.599 -178.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.95 -44.15 94.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.984 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.67 -36.39 91.53 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 64.8 mt -63.73 -43.98 98.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.358 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 31.7 tp -60.53 -46.92 88.4 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.653 0.263 . . . . 0.0 110.871 -179.592 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -68.76 -36.72 78.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.728 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.4 mt -64.53 -44.15 96.87 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 179.365 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.1 tp -64.77 -34.42 78.3 Favored 'General case' 0 N--CA 1.437 -1.085 0 N-CA-C 104.756 -2.313 . . . . 0.0 104.756 176.153 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.63 -51.77 55.92 Favored Glycine 0 CA--C 1.532 1.126 0 CA-C-N 113.013 -1.903 . . . . 0.0 111.706 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.0 mt -67.04 -44.64 88.16 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.115 0 O-C-N 122.729 -0.277 . . . . 0.0 111.269 -179.264 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.5 mt -63.54 -44.62 93.68 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.715 -0.394 . . . . 0.0 109.948 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 29.7 mt -60.19 -47.04 93.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.381 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 39.2 t -56.78 -51.22 69.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.701 0.286 . . . . 0.0 111.068 -179.188 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.7 tp -66.2 -35.25 79.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.105 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.78 -35.45 76.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.234 -179.303 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.22 -36.02 70.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.801 -179.272 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 34.5 mmm-85 -61.24 -27.83 68.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.628 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 44' ' ' PHE . 36.1 m -60.3 -47.55 85.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.977 -179.73 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 73.8 ttt180 -54.98 -40.24 69.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.959 0.409 . . . . 0.0 110.43 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.4 m -75.92 -37.03 59.16 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.504 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 53.7 mttt -78.26 -26.76 47.33 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.608 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 40' ' ' CYS . 2.0 m-85 -66.51 -47.01 74.32 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.261 -179.483 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 . . . . . 0 N--CA 1.464 0.229 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.588 -179.748 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.4 ' O ' ' N ' ' A' ' 17' ' ' GLN . 27.6 m-85 . . . . . 0 N--CA 1.46 0.064 0 CA-C-O 120.55 0.214 . . . . 0.0 110.699 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -51.66 -51.55 55.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.452 -179.147 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.5 t -83.69 -31.07 26.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.757 0.313 . . . . 0.0 111.422 -179.321 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.4 mt -79.74 -9.3 59.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.137 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 13' ' ' TYR . 8.5 mm-40 -70.61 -49.15 50.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.833 0.349 . . . . 0.0 110.94 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.669 HG22 HG23 ' A' ' 22' ' ' VAL . 14.1 mm -96.43 -6.15 9.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.044 -179.203 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -51.74 -95.94 0.01 OUTLIER Glycine 0 CA--C 1.528 0.879 0 C-N-CA 121.098 -0.572 . . . . 0.0 111.746 -179.485 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -38.1 -31.34 0.1 OUTLIER Glycine 0 CA--C 1.528 0.901 0 N-CA-C 112.253 -0.339 . . . . 0.0 112.253 -179.197 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.6 mp -61.44 -51.4 68.89 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 122.624 -0.339 . . . . 0.0 111.431 -179.162 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.669 HG23 HG22 ' A' ' 18' ' ' ILE . 61.8 t -68.41 -44.98 82.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.328 -179.149 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.0 mm -62.79 -46.42 96.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 C-N-CA 120.881 -0.327 . . . . 0.0 111.247 -179.313 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.66 -43.29 84.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.852 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.68 -38.12 95.37 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 80.4 mt -62.53 -43.09 98.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 111.673 0.249 . . . . 0.0 111.673 -179.415 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 35.9 tp -64.13 -47.6 79.33 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.724 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -67.31 -36.32 81.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.305 179.246 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.0 mt -66.58 -43.38 90.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 mt -64.71 -34.09 77.5 Favored 'General case' 0 N--CA 1.437 -1.108 0 N-CA-C 104.342 -2.466 . . . . 0.0 104.342 175.66 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.484 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -57.8 -51.47 57.9 Favored Glycine 0 CA--C 1.531 1.055 0 CA-C-N 112.837 -1.983 . . . . 0.0 111.625 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.1 mt -66.56 -44.5 90.05 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.139 0 O-C-N 122.705 -0.291 . . . . 0.0 111.39 -179.168 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 94.3 mt -65.03 -44.17 89.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.086 0.47 . . . . 0.0 110.221 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 32.1 mt -60.59 -46.39 95.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.362 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 31' ' ' GLY . 46.2 t -56.49 -52.29 54.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.894 -179.196 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 83.0 mt -66.47 -34.69 78.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.075 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 67.9 m -61.12 -35.57 77.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.507 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -57.49 -34.75 69.38 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.953 -0.299 . . . . 0.0 111.033 -179.254 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.3 tpp180 -61.32 -30.65 70.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.84 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -57.86 -45.57 86.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.087 -179.529 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.515 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 65.8 ttt-85 -55.83 -43.22 76.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.099 -179.591 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.42 ' O ' ' OD1' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -78.91 -32.8 45.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.468 -179.425 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.6 ttpp -73.82 -32.3 63.65 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.704 -179.05 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.462 ' CD2' ' N ' ' A' ' 45' ' ' ASN . 0.5 OUTLIER -65.91 -47.93 73.11 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -178.635 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.515 ' ND2' ' O ' ' A' ' 41' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.411 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.301 -179.542 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 . . . . . 0 C--O 1.23 0.027 0 CA-C-O 120.8 0.333 . . . . 0.0 110.318 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -51.51 -51.75 52.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.336 -179.033 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 83.4 p -82.01 -32.73 30.43 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 121.014 -0.274 . . . . 0.0 111.512 -179.358 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.0 tp -81.19 -3.86 53.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.362 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -73.76 -47.14 41.2 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.304 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.436 HG12 HG23 ' A' ' 22' ' ' VAL . 2.3 tt -99.15 5.05 9.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.345 -179.077 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 21' ' ' LEU . . . -66.35 -89.72 0.05 OUTLIER Glycine 0 CA--C 1.528 0.866 0 C-N-CA 120.866 -0.683 . . . . 0.0 111.466 -179.498 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.488 ' HA2' HD11 ' A' ' 23' ' ' ILE . . . -37.32 -29.82 0.04 OUTLIER Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.65 -0.58 . . . . 0.0 111.65 -179.628 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 19' ' ' GLY . 8.8 mp -70.77 -51.21 28.5 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -179.098 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.436 HG23 HG12 ' A' ' 18' ' ' ILE . 19.8 t -68.05 -50.83 55.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 120.471 -0.492 . . . . 0.0 112.227 -178.55 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.488 HD11 ' HA2' ' A' ' 20' ' ' GLY . 11.0 pt -59.18 -39.77 79.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 120.461 -0.495 . . . . 0.0 110.68 -179.62 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.91 -37.42 84.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.965 0.412 . . . . 0.0 110.148 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.93 -41.97 99.7 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 111.489 -0.645 . . . . 0.0 111.489 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.9 mm -64.23 -44.29 97.41 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.123 0 C-N-CA 120.388 -0.525 . . . . 0.0 111.027 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 30.4 tp -55.76 -47.56 76.8 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.904 -179.306 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -71.43 -44.85 64.09 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.226 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 42.5 mt -58.32 -43.43 86.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.1 tp -65.16 -34.6 78.77 Favored 'General case' 0 N--CA 1.437 -1.089 0 N-CA-C 104.901 -2.259 . . . . 0.0 104.901 176.181 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.463 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -57.39 -52.43 51.72 Favored Glycine 0 CA--C 1.534 1.254 0 CA-C-N 113.272 -1.785 . . . . 0.0 111.713 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 20.6 mm -68.68 -44.8 82.17 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 117.022 0.411 . . . . 0.0 111.019 -179.415 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.2 mt -59.1 -45.87 89.75 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 31.5 mt -60.5 -44.65 96.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.49 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 31' ' ' GLY . 40.8 t -57.07 -52.87 50.59 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.635 -178.604 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.2 mp -66.8 -33.46 75.67 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.234 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 64.0 m -60.95 -35.85 77.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.068 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -39.04 77.25 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.457 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -58.09 -30.98 66.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.847 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 35.3 m -57.93 -38.99 76.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.687 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -60.33 -38.71 84.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.605 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.5 m -78.92 -37.79 39.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.625 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 37.4 mttm -76.12 -27.25 57.02 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.554 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -65.55 -47.78 74.67 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.522 -178.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 . . . . . 0 C--N 1.329 -0.31 0 C-N-CA 120.764 -0.375 . . . . 0.0 110.973 -179.741 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.411 ' O ' ' N ' ' A' ' 17' ' ' GLN . 24.4 m-85 . . . . . 0 CA--C 1.524 -0.046 0 CA-C-O 120.751 0.31 . . . . 0.0 110.277 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -51.66 -52.26 49.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.019 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 82.5 p -81.84 -30.73 31.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.775 0.321 . . . . 0.0 111.179 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.5 mt -81.43 -3.4 52.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.114 -179.358 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 13' ' ' TYR . 10.4 mt-30 -74.87 -50.88 15.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.309 -179.533 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.659 HG22 HG23 ' A' ' 22' ' ' VAL . 10.7 mm -95.42 -6.52 10.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.749 0.309 . . . . 0.0 110.892 -179.409 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.468 ' O ' ' N ' ' A' ' 21' ' ' LEU . . . -48.74 -102.77 0.01 OUTLIER Glycine 0 CA--C 1.527 0.809 0 N-CA-C 111.741 -0.544 . . . . 0.0 111.741 -179.541 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -34.59 -30.9 0.01 OUTLIER Glycine 0 CA--C 1.527 0.815 0 N-CA-C 112.145 -0.382 . . . . 0.0 112.145 -179.33 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 19' ' ' GLY . 4.9 mp -62.69 -51.53 66.84 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.903 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.659 HG23 HG22 ' A' ' 18' ' ' ILE . 11.2 t -68.39 -50.28 58.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.88 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 80.1 mt -56.32 -46.27 81.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.908 0.385 . . . . 0.0 110.436 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.4 -37.35 70.02 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.972 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.44 -39.06 97.3 Favored Glycine 0 CA--C 1.529 0.915 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.74 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.0 mm -65.21 -44.7 95.18 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.177 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.504 -179.121 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 47.1 mt -60.43 -47.44 86.1 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 120.771 -0.372 . . . . 0.0 111.411 -179.138 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -70.26 -36.41 74.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.855 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 16.6 mt -66.4 -43.52 91.16 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.384 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.9 mt -64.63 -34.35 78.07 Favored 'General case' 0 N--CA 1.436 -1.169 0 N-CA-C 104.955 -2.239 . . . . 0.0 104.955 176.132 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.605 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -58.17 -51.88 55.82 Favored Glycine 0 CA--C 1.53 1.003 0 CA-C-N 113.577 -1.647 . . . . 0.0 111.23 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 90.8 mt -65.44 -45.09 93.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 O-C-N 122.719 -0.283 . . . . 0.0 111.482 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 97.5 mt -64.31 -45.85 86.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.994 0.426 . . . . 0.0 110.156 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 41.5 mt -60.15 -45.93 95.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.574 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 31' ' ' GLY . 54.6 t -56.42 -52.3 54.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.935 -179.149 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 78.6 mt -66.15 -33.98 77.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.844 0.354 . . . . 0.0 110.613 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.496 ' O ' ' SG ' ' A' ' 40' ' ' CYS . 59.4 m -61.42 -35.27 77.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.365 -179.628 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -56.64 -31.96 64.87 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.816 -179.067 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.7 mtp85 -67.27 -30.54 70.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.806 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.579 ' SG ' ' N ' ' A' ' 41' ' ' ARG . 1.8 p -58.78 -42.77 89.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.29 -179.232 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.579 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 18.3 ttp85 -58.18 -43.68 87.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.882 0.372 . . . . 0.0 110.636 -179.616 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.4 ' HA ' HD21 ' A' ' 45' ' ' ASN . 1.8 m -73.45 -39.02 65.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.739 -179.664 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -73.03 -26.09 61.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.176 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -64.93 -47.65 76.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.381 -179.197 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.428 ' ND2' ' O ' ' A' ' 41' ' ' ARG . 9.6 p30 . . . . . 0 C--N 1.327 -0.375 0 CA-C-O 120.827 0.346 . . . . 0.0 110.988 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.844 0.354 . . . . 0.0 110.407 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -52.06 -51.04 60.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.453 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 82.6 p -84.1 -30.63 25.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.538 -179.274 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 tp -81.92 -5.47 58.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.705 0.288 . . . . 0.0 111.157 -179.324 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -70.32 -51.51 29.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.232 -179.516 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.497 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -94.56 -2.08 10.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.88 -179.537 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -53.12 -96.48 0.01 OUTLIER Glycine 0 CA--C 1.528 0.863 0 C-N-CA 121.14 -0.553 . . . . 0.0 111.884 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -39.27 -34.18 0.35 Allowed Glycine 0 CA--C 1.527 0.826 0 N-CA-C 111.917 -0.473 . . . . 0.0 111.917 -179.094 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.8 mp -58.9 -51.2 71.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.713 0.292 . . . . 0.0 111.555 -179.268 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 18' ' ' ILE . 87.2 t -68.51 -48.23 73.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.394 -179.098 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.5 mm -60.63 -46.03 96.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.717 0.294 . . . . 0.0 111.3 -179.408 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.53 -45.47 85.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.824 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.11 -37.57 91.85 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 91.2 mt -63.17 -42.73 97.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 121.075 -0.25 . . . . 0.0 111.351 -179.599 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 29.7 tp -61.51 -46.71 88.84 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.844 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -71.08 -36.56 72.28 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.01 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 25.3 mt -65.87 -44.13 92.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 179.446 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.4 tp -64.75 -34.25 77.9 Favored 'General case' 0 N--CA 1.435 -1.178 0 N-CA-C 104.892 -2.262 . . . . 0.0 104.892 176.126 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.453 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -59.72 -52.22 54.29 Favored Glycine 0 CA--C 1.53 1.029 0 CA-C-N 112.871 -1.968 . . . . 0.0 112.077 -179.683 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 84.9 mt -66.57 -44.24 90.16 Favored 'Isoleucine or valine' 0 C--O 1.232 0.152 0 CA-C-O 120.657 0.265 . . . . 0.0 110.841 -179.145 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.2 mt -62.19 -45.24 94.25 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.542 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 24.8 mt -60.61 -45.02 98.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.448 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 31' ' ' GLY . 42.3 t -56.73 -51.97 60.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.054 -178.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 73.3 mt -66.24 -32.14 73.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.877 0.37 . . . . 0.0 110.544 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 56.4 m -62.24 -35.59 79.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.223 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.6 mtt180 -57.27 -36.45 71.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.747 0.308 . . . . 0.0 110.713 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.0 tpt85 -60.87 -31.91 71.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.528 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 34.0 m -59.72 -38.91 82.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.972 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 90.2 mtt-85 -58.82 -46.7 87.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.939 0.399 . . . . 0.0 110.824 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -79.13 -30.81 43.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.582 -178.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -78.24 -28.26 47.81 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.989 -0.285 . . . . 0.0 111.61 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -65.56 -46.12 80.71 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.437 -179.075 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 17.0 m120 . . . . . 0 C--N 1.327 -0.373 0 CA-C-O 120.831 0.348 . . . . 0.0 110.852 -179.358 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.663 0.268 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -51.4 -50.77 58.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.564 -179.095 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.6 t -83.56 -33.32 25.46 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.517 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 tp -79.92 -3.53 48.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.217 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -72.96 -48.76 33.85 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.355 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.644 HG22 HG23 ' A' ' 22' ' ' VAL . 14.7 mm -95.09 -15.4 7.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.254 -179.32 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.426 ' O ' ' N ' ' A' ' 21' ' ' LEU . . . -47.18 -91.7 0.01 OUTLIER Glycine 0 CA--C 1.528 0.888 0 C-N-CA 121.083 -0.579 . . . . 0.0 111.886 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -35.3 -32.52 0.03 OUTLIER Glycine 0 CA--C 1.528 0.886 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 -179.127 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 19' ' ' GLY . 8.6 mp -69.05 -51.0 43.46 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -179.235 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.644 HG23 HG22 ' A' ' 18' ' ' ILE . 18.4 t -65.73 -50.12 73.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -178.625 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.566 HG23 ' N ' ' A' ' 24' ' ' ALA . 15.7 tt -57.83 -45.33 87.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.636 -179.38 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.566 ' N ' HG23 ' A' ' 23' ' ' ILE . . . -57.42 -36.37 71.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.024 0.44 . . . . 0.0 109.949 179.585 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.57 -43.22 99.31 Favored Glycine 0 CA--C 1.527 0.837 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.606 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 11.8 mm -62.55 -42.97 97.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.191 -179.27 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 27.8 tp -60.35 -48.09 83.26 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 120.673 -0.411 . . . . 0.0 111.547 -178.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -71.72 -36.71 70.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.031 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 32.7 mt -65.71 -45.79 90.92 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.2 tp -64.48 -34.44 78.23 Favored 'General case' 0 N--CA 1.437 -1.104 0 N-CA-C 105.093 -2.188 . . . . 0.0 105.093 176.675 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.599 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -58.35 -51.87 56.09 Favored Glycine 0 CA--C 1.532 1.104 0 CA-C-N 113.233 -1.803 . . . . 0.0 111.536 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.9 mt -66.85 -44.87 88.71 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.158 0 CA-C-O 120.75 0.309 . . . . 0.0 111.127 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.7 mp -60.56 -46.3 90.7 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 26.1 mt -60.61 -44.83 97.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.464 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 31' ' ' GLY . 74.2 t -57.1 -51.56 67.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.636 -179.378 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.3 mt -66.26 -34.2 77.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.709 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.461 ' O ' ' SG ' ' A' ' 40' ' ' CYS . 51.1 m -61.95 -35.92 79.88 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.242 -179.646 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.4 mmt-85 -57.87 -35.79 71.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.736 0.303 . . . . 0.0 110.797 -179.571 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -61.84 -27.59 68.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.559 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.586 ' SG ' ' N ' ' A' ' 41' ' ' ARG . 1.0 OUTLIER -62.08 -43.95 97.73 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.036 -179.473 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.586 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 36.9 ttm180 -57.94 -45.04 87.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.785 0.326 . . . . 0.0 110.769 -179.576 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 12.1 m -73.73 -34.56 64.83 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.799 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.7 mttm -77.99 -29.12 49.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.758 -179.456 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -65.76 -47.11 76.33 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.604 -0.439 . . . . 0.0 111.044 -179.245 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 . . . . . 0 C--N 1.328 -0.369 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.694 -179.835 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 . . . . . 0 N--CA 1.46 0.027 0 CA-C-O 120.877 0.37 . . . . 0.0 110.143 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -51.17 -52.02 48.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.358 -179.152 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 83.6 p -82.99 -30.75 27.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.766 0.317 . . . . 0.0 111.419 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 tp -82.13 -3.7 55.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.467 -179.298 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -74.95 -47.65 28.49 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.979 -0.289 . . . . 0.0 111.261 -179.552 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.778 HG22 HG23 ' A' ' 22' ' ' VAL . 12.8 mm -95.02 -16.97 7.22 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-O 120.705 0.288 . . . . 0.0 111.001 -179.342 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' A' ' 21' ' ' LEU . . . -44.69 -92.51 0.01 OUTLIER Glycine 0 CA--C 1.528 0.903 0 C-N-CA 121.123 -0.56 . . . . 0.0 111.71 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.482 ' HA2' HD11 ' A' ' 23' ' ' ILE . . . -35.45 -29.78 0.02 OUTLIER Glycine 0 CA--C 1.526 0.763 0 N-CA-C 112.101 -0.4 . . . . 0.0 112.101 -179.26 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 19' ' ' GLY . 6.5 mp -70.82 -48.64 53.0 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -179.249 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.778 HG23 HG22 ' A' ' 18' ' ' ILE . 47.7 t -68.33 -49.47 66.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -178.733 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.482 HD11 ' HA2' ' A' ' 20' ' ' GLY . 12.1 pt -64.2 -39.09 84.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 121.08 -0.248 . . . . 0.0 111.593 -179.095 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.63 -48.82 79.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.073 0.463 . . . . 0.0 110.695 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.84 -35.81 87.9 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 53.1 mt -62.71 -42.58 96.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.989 -0.284 . . . . 0.0 111.59 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.3 tp -63.49 -48.01 79.39 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 120.839 -0.344 . . . . 0.0 111.132 -179.175 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.529 ' N ' ' CD1' ' A' ' 28' ' ' PHE . 0.5 OUTLIER -69.46 -37.0 77.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.542 179.63 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 12.1 mt -61.69 -42.75 95.5 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.448 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 mt -64.42 -34.12 77.45 Favored 'General case' 0 N--CA 1.432 -1.356 0 N-CA-C 105.186 -2.153 . . . . 0.0 105.186 175.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.636 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -59.14 -52.2 54.73 Favored Glycine 0 CA--C 1.533 1.214 0 CA-C-N 113.434 -1.712 . . . . 0.0 112.023 -179.669 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 81.5 mt -64.17 -44.59 97.57 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 O-C-N 122.724 -0.28 . . . . 0.0 111.358 -179.049 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.3 mt -64.66 -45.92 84.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.137 0.494 . . . . 0.0 109.762 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 34.7 mt -60.46 -44.68 96.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.339 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 31' ' ' GLY . 54.7 t -56.49 -52.23 55.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.684 -179.17 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 83.1 mt -66.11 -31.55 72.47 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.712 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 48.7 m -60.53 -35.55 76.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.49 -179.137 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 16.6 mmm180 -57.49 -36.87 72.06 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 120.084 -0.646 . . . . 0.0 110.38 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 42.6 mtp180 -58.8 -32.77 69.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.538 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.428 ' O ' ' N ' ' A' ' 44' ' ' PHE . 4.0 t -58.7 -46.36 87.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.795 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.6 ttt180 -56.54 -45.16 81.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.716 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.8 m -76.32 -36.14 58.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.017 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 33.0 mttt -76.95 -24.59 52.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.687 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.526 ' CD2' ' OD1' ' A' ' 45' ' ' ASN . 71.6 t80 -65.77 -49.84 66.9 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.314 -0.554 . . . . 0.0 111.189 -178.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.526 ' OD1' ' CD2' ' A' ' 44' ' ' PHE . 17.2 p30 . . . . . 0 N--CA 1.48 1.06 0 O-C-N 124.662 1.226 . . . . 0.0 109.596 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 . . . . . 0 N--CA 1.459 -0.022 0 CA-C-O 120.687 0.279 . . . . 0.0 110.626 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -51.26 -51.71 51.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.364 -179.341 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 85.4 p -80.63 -34.87 34.66 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.654 -179.482 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -80.25 -3.27 48.51 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.472 -179.262 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -72.86 -45.57 57.63 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.277 -179.552 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.63 HG22 HG23 ' A' ' 22' ' ' VAL . 13.7 mm -97.56 -19.12 6.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.269 -179.025 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.491 ' O ' ' N ' ' A' ' 21' ' ' LEU . . . -43.71 -93.91 0.01 OUTLIER Glycine 0 CA--C 1.529 0.925 0 C-N-CA 120.99 -0.624 . . . . 0.0 111.648 -179.399 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.497 ' HA2' HD11 ' A' ' 23' ' ' ILE . . . -32.89 -31.9 0.01 OUTLIER Glycine 0 CA--C 1.527 0.781 0 O-C-N 123.676 0.28 . . . . 0.0 112.438 -179.228 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 19' ' ' GLY . 8.5 mp -70.8 -50.82 31.56 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -179.285 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.63 HG23 HG22 ' A' ' 18' ' ' ILE . 16.4 t -67.02 -50.75 61.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 C-N-CA 120.495 -0.482 . . . . 0.0 112.046 -178.502 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.497 HD11 ' HA2' ' A' ' 20' ' ' GLY . 11.5 pt -59.2 -39.56 79.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.564 -0.455 . . . . 0.0 110.611 -179.622 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.43 -37.54 81.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.211 0.529 . . . . 0.0 109.931 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.74 -40.62 98.69 Favored Glycine 0 CA--C 1.524 0.609 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.665 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.6 mm -63.73 -41.64 93.26 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-N 117.125 0.463 . . . . 0.0 111.12 -179.299 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 27.8 tp -61.3 -48.59 80.68 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.491 -0.484 . . . . 0.0 111.208 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -71.88 -36.64 70.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.515 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.6 mt -67.62 -43.85 86.6 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.256 0 CA-C-O 121.282 0.563 . . . . 0.0 109.511 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.8 tp -65.02 -34.71 79.09 Favored 'General case' 0 N--CA 1.434 -1.247 0 N-CA-C 105.395 -2.076 . . . . 0.0 105.395 176.525 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.756 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -60.4 -52.42 52.75 Favored Glycine 0 CA--C 1.532 1.152 0 CA-C-N 113.206 -1.815 . . . . 0.0 111.777 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 87.4 mt -63.13 -44.76 99.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 O-C-N 122.627 -0.337 . . . . 0.0 110.892 -179.505 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.7 mt -62.76 -45.06 94.43 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 18.1 mt -60.6 -44.96 97.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.376 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.756 HG23 ' O ' ' A' ' 31' ' ' GLY . 86.4 t -56.77 -52.03 59.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.817 -179.19 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.6 mp -65.96 -33.16 75.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.859 0.361 . . . . 0.0 110.736 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 55.2 m -61.21 -36.12 79.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.373 -179.427 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.76 -40.13 79.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.697 0.284 . . . . 0.0 110.9 -179.41 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 36.3 ttt180 -58.86 -31.18 68.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.055 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 5.1 t -58.42 -45.56 88.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.377 -179.32 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 59.5 ttp85 -56.33 -40.03 73.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.926 -179.409 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.43 -47.48 19.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.137 -179.447 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 36.6 mtpt -60.69 -35.21 75.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.646 -179.462 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -65.23 -47.88 75.26 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.1 0.408 . . . . 0.0 112.1 -178.446 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 . . . . . 0 C--N 1.326 -0.435 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.901 -179.553 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 . . . . . 0 N--CA 1.46 0.056 0 CA-C-O 120.63 0.253 . . . . 0.0 110.388 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 93.6 mm-40 -51.48 -52.11 49.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.497 -179.211 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 84.2 p -83.99 -31.26 25.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.602 -179.314 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.5 tp -81.24 -3.16 51.52 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.639 -179.088 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -74.57 -50.11 19.23 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.464 -179.273 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.613 HG22 HG23 ' A' ' 22' ' ' VAL . 13.5 mm -90.31 -22.57 6.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.813 0.339 . . . . 0.0 111.393 -179.138 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.491 ' O ' ' N ' ' A' ' 21' ' ' LEU . . . -39.65 -95.24 0.01 OUTLIER Glycine 0 CA--C 1.528 0.874 0 N-CA-C 111.898 -0.481 . . . . 0.0 111.898 -179.51 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.497 ' HA2' HD11 ' A' ' 23' ' ' ILE . . . -32.12 -32.26 0.01 OUTLIER Glycine 0 CA--C 1.526 0.774 0 CA-C-N 115.691 -0.255 . . . . 0.0 112.745 -179.217 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 19' ' ' GLY . 20.3 mt -71.51 -51.05 25.7 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.679 -179.038 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.613 HG23 HG22 ' A' ' 18' ' ' ILE . 10.6 t -65.59 -50.94 68.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 C-N-CA 120.591 -0.444 . . . . 0.0 111.976 -178.615 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.497 HD11 ' HA2' ' A' ' 20' ' ' GLY . 10.8 pt -59.09 -42.21 85.84 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.75 -179.422 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.24 -35.12 73.11 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.248 0.547 . . . . 0.0 109.978 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.57 -39.36 93.87 Favored Glycine 0 CA--C 1.526 0.755 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.84 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.3 mm -64.4 -44.6 97.13 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-N 117.205 0.503 . . . . 0.0 111.409 -178.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.1 tp -61.63 -47.85 83.52 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.118 -178.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.518 ' CZ ' HD11 ' A' ' 32' ' ' ILE . 57.6 t80 -70.23 -37.57 75.02 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.895 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 16.5 mt -63.56 -42.38 95.94 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.513 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 179.056 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.4 mt -64.61 -33.48 76.02 Favored 'General case' 0 N--CA 1.432 -1.342 0 N-CA-C 104.878 -2.267 . . . . 0.0 104.878 175.695 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.628 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -56.61 -50.57 62.25 Favored Glycine 0 CA--C 1.531 1.071 0 CA-C-N 113.825 -1.534 . . . . 0.0 111.462 -179.704 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.518 HD11 ' CZ ' ' A' ' 28' ' ' PHE . 33.3 mm -69.47 -44.75 79.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-N 116.929 0.365 . . . . 0.0 111.406 -179.434 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.4 mt -62.65 -47.43 83.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.035 0.445 . . . . 0.0 110.432 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 58.9 mt -60.38 -44.56 96.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.354 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 31' ' ' GLY . 43.6 t -56.41 -52.42 52.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.778 -179.072 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 78.6 mt -66.55 -33.07 74.86 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.776 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 51.1 m -61.89 -37.36 84.29 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.586 -179.524 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.9 ptt-85 -57.53 -31.57 66.21 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.641 -0.423 . . . . 0.0 110.452 -179.373 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.3 ttp180 -66.01 -31.58 72.55 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.403 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 50.0 m -57.59 -49.61 75.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.023 -179.551 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 33.1 ttp180 -55.02 -37.98 67.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.783 0.325 . . . . 0.0 110.541 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.2 m -72.45 -40.23 67.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.089 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 38.1 mtmt -77.98 -22.7 49.0 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -179.376 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.452 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 2.0 m-85 -64.54 -50.36 67.63 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.355 -0.538 . . . . 0.0 111.907 -177.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.452 ' CB ' ' O ' ' A' ' 44' ' ' PHE . 1.6 m120 . . . . . 0 N--CA 1.471 0.621 0 CA-C-O 120.981 0.42 . . . . 0.0 110.332 179.573 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.416 ' O ' ' N ' ' A' ' 17' ' ' GLN . 28.6 m-85 . . . . . 0 CA--C 1.528 0.12 0 CA-C-O 120.812 0.339 . . . . 0.0 110.493 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -51.76 -50.68 60.18 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.476 -179.342 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 83.9 p -83.61 -30.45 26.92 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.514 -179.399 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 tp -81.73 -9.25 59.69 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.292 -179.304 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 13' ' ' TYR . 9.8 mm-40 -68.86 -49.28 59.66 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.332 -179.624 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.681 HG22 HG23 ' A' ' 22' ' ' VAL . 13.9 mm -96.37 -8.73 9.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.906 0.384 . . . . 0.0 111.103 -179.246 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.06 -84.69 0.03 OUTLIER Glycine 0 CA--C 1.528 0.899 0 C-N-CA 121.171 -0.538 . . . . 0.0 111.912 -179.333 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.471 ' HA2' HD11 ' A' ' 23' ' ' ILE . . . -41.05 -32.3 0.57 Allowed Glycine 0 CA--C 1.527 0.823 0 N-CA-C 112.262 -0.335 . . . . 0.0 112.262 -178.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.3 mp -68.95 -51.19 42.28 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -178.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.681 HG23 HG22 ' A' ' 18' ' ' ILE . 85.6 t -63.0 -49.94 81.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -178.403 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.471 HD11 ' HA2' ' A' ' 20' ' ' GLY . 10.8 pt -60.23 -42.22 89.63 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 C-N-CA 120.601 -0.439 . . . . 0.0 111.198 -179.065 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.24 -34.94 72.82 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.501 -0.48 . . . . 0.0 109.813 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.62 -39.9 95.67 Favored Glycine 0 CA--C 1.528 0.873 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.779 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.408 HG22 HD12 ' A' ' 30' ' ' LEU . 14.7 mm -64.86 -44.38 96.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.277 -0.569 . . . . 0.0 111.509 -179.116 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.4 tp -61.09 -47.84 84.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.925 0.393 . . . . 0.0 111.237 -178.664 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.46 ' CZ ' HD11 ' A' ' 32' ' ' ILE . 54.9 t80 -70.96 -37.47 72.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.022 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 21.6 mt -63.53 -43.92 98.5 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.509 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 179.132 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.408 HD12 HG22 ' A' ' 26' ' ' ILE . 4.0 mt -64.14 -32.99 74.76 Favored 'General case' 0 N--CA 1.432 -1.347 0 N-CA-C 104.558 -2.386 . . . . 0.0 104.558 175.622 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.552 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -56.18 -50.86 59.46 Favored Glycine 0 CA--C 1.531 1.042 0 CA-C-N 113.476 -1.693 . . . . 0.0 111.153 -179.723 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.46 HD11 ' CZ ' ' A' ' 28' ' ' PHE . 28.9 mm -70.49 -44.75 76.8 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 116.949 0.374 . . . . 0.0 111.315 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.6 mp -60.95 -48.21 82.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.143 0.497 . . . . 0.0 110.779 -179.413 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 66.4 mt -60.55 -44.44 96.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.356 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 31' ' ' GLY . 40.4 t -56.62 -51.06 70.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.474 -179.453 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.6 tp -66.2 -32.42 73.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.466 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.494 ' O ' ' SG ' ' A' ' 40' ' ' CYS . 11.3 t -62.63 -35.9 81.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.477 -179.632 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 10.9 mmt180 -57.63 -35.87 71.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.198 -179.249 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.4 mmt85 -63.23 -30.79 71.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.783 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.577 ' SG ' ' N ' ' A' ' 41' ' ' ARG . 1.4 p -58.17 -40.53 81.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.311 -179.457 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.577 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 61.5 ttp85 -61.91 -45.68 92.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.3 -179.376 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.41 -32.74 54.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.402 -179.363 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.1 mmmt -75.22 -33.51 61.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.612 -179.391 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -66.38 -46.99 74.79 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.608 -179.295 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.417 0 CA-C-O 120.804 0.335 . . . . 0.0 110.678 -179.416 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 . . . . . 0 C--O 1.226 -0.173 0 CA-C-O 120.576 0.227 . . . . 0.0 110.555 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -51.4 -49.97 60.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.553 -179.045 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 83.5 p -84.12 -31.28 25.32 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -179.071 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 tp -79.02 -3.15 43.71 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -178.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.83 -52.22 13.77 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.436 -179.343 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.706 HG22 HG23 ' A' ' 22' ' ' VAL . 8.0 mm -89.85 -16.39 8.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.858 0.361 . . . . 0.0 111.107 -178.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.495 ' O ' ' N ' ' A' ' 21' ' ' LEU . . . -44.67 -94.9 0.01 OUTLIER Glycine 0 CA--C 1.527 0.807 0 N-CA-C 111.645 -0.582 . . . . 0.0 111.645 -179.615 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.51 ' HA2' HD11 ' A' ' 23' ' ' ILE . . . -34.93 -29.19 0.01 OUTLIER Glycine 0 CA--C 1.525 0.715 0 N-CA-C 112.321 -0.312 . . . . 0.0 112.321 -179.323 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 19' ' ' GLY . 8.5 mp -72.15 -48.65 41.88 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -179.112 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.706 HG23 HG22 ' A' ' 18' ' ' ILE . 13.3 t -68.36 -50.12 60.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.948 -178.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.51 HD11 ' HA2' ' A' ' 20' ' ' GLY . 13.0 pt -61.82 -38.78 81.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.949 -179.285 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.89 -42.46 99.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.938 0.399 . . . . 0.0 110.919 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.09 -37.64 94.86 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.556 -0.617 . . . . 0.0 111.556 -179.594 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.86 -43.54 97.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 C-N-CA 120.889 -0.324 . . . . 0.0 111.341 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 36.6 tp -61.87 -47.25 85.84 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.638 -179.46 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.408 ' O ' ' N ' ' A' ' 31' ' ' GLY . 6.5 m-85 -67.23 -43.76 81.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.474 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 30.1 mt -58.84 -41.1 81.8 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.381 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 179.55 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.2 mt -65.02 -34.22 77.91 Favored 'General case' 0 N--CA 1.433 -1.29 0 N-CA-C 104.87 -2.271 . . . . 0.0 104.87 175.769 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.723 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -58.15 -52.33 53.14 Favored Glycine 0 CA--C 1.534 1.227 0 CA-C-N 113.355 -1.748 . . . . 0.0 112.003 -179.576 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.9 mm -66.72 -44.63 89.38 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 O-C-N 122.562 -0.376 . . . . 0.0 111.07 -179.194 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.8 mt -63.13 -46.57 86.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.927 0.394 . . . . 0.0 110.057 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.7 mt -60.59 -46.15 96.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.375 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 31' ' ' GLY . 77.8 t -56.78 -52.24 57.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 C-N-CA 120.776 -0.369 . . . . 0.0 110.871 -179.289 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.6 mp -66.05 -34.85 79.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.603 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 65.1 m -61.02 -35.87 78.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.844 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.5 mmt-85 -57.42 -41.81 81.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.456 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.7 ttt85 -57.19 -28.43 62.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.054 179.605 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.7 t -61.0 -46.2 91.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.896 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 69.2 mtp180 -54.83 -40.03 69.16 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.82 0.343 . . . . 0.0 110.855 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.29 -38.97 55.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.885 -179.685 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 50.8 mmtt -73.37 -27.81 61.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.994 -179.543 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -64.99 -48.12 75.11 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.82 -178.555 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.647 -179.924 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 . . . . . 0 N--CA 1.457 -0.119 0 CA-C-O 120.867 0.365 . . . . 0.0 110.264 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -51.54 -51.97 50.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.491 -179.014 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 79.9 p -82.41 -34.99 28.06 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -178.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.0 tp -77.41 -9.08 58.66 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.972 -0.291 . . . . 0.0 111.518 -178.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -67.59 -51.17 53.51 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.974 -0.291 . . . . 0.0 111.421 -179.287 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.706 HG22 HG23 ' A' ' 22' ' ' VAL . 15.3 mm -94.68 -10.37 9.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.87 0.367 . . . . 0.0 111.009 -179.061 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -51.22 -81.36 0.05 OUTLIER Glycine 0 CA--C 1.529 0.926 0 N-CA-C 111.832 -0.507 . . . . 0.0 111.832 -179.602 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.421 ' HA2' HD11 ' A' ' 23' ' ' ILE . . . -44.41 -29.65 1.82 Allowed Glycine 0 CA--C 1.528 0.851 0 C-N-CA 121.761 -0.257 . . . . 0.0 112.521 -178.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.8 mp -71.77 -47.33 54.29 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -178.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.706 HG23 HG22 ' A' ' 18' ' ' ILE . 42.1 t -66.19 -49.2 77.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -178.51 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.421 HD11 ' HA2' ' A' ' 20' ' ' GLY . 6.1 pt -64.43 -43.95 97.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.525 -179.024 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.22 -45.58 87.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.931 0.396 . . . . 0.0 110.507 -179.655 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.59 -40.68 96.69 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 80.1 mt -60.23 -42.31 89.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 111.56 0.207 . . . . 0.0 111.56 -179.578 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 31.7 tp -61.64 -47.21 86.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.784 0.325 . . . . 0.0 110.729 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -70.98 -36.54 72.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.167 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 7.4 mm -66.88 -43.67 89.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.8 tp -65.18 -34.72 79.06 Favored 'General case' 0 N--CA 1.436 -1.165 0 N-CA-C 105.093 -2.188 . . . . 0.0 105.093 176.071 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.54 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -58.93 -51.82 56.96 Favored Glycine 0 CA--C 1.529 0.924 0 CA-C-N 112.608 -2.087 . . . . 0.0 112.06 -179.561 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 72.3 mt -68.19 -45.21 83.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 C-N-CA 121.046 -0.262 . . . . 0.0 110.914 -179.341 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 33' ' ' LEU . 92.3 mt -58.42 -46.43 86.5 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.379 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 29.5 mt -60.41 -42.79 92.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.405 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 31' ' ' GLY . 42.3 t -57.14 -52.62 53.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.493 -178.69 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.4 mp -66.59 -33.81 76.49 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.164 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.493 ' O ' ' SG ' ' A' ' 40' ' ' CYS . 44.4 m -60.63 -35.71 76.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.133 -179.762 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.9 mmt85 -57.54 -33.82 68.51 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.754 -179.558 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -65.61 -30.49 71.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.677 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.574 ' SG ' ' N ' ' A' ' 41' ' ' ARG . 1.3 p -57.9 -40.92 81.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 -179.659 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.574 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 10.6 ttm-85 -62.1 -43.87 97.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.802 0.334 . . . . 0.0 110.795 -179.704 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.2 m -78.28 -32.58 49.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 -179.442 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.0 mmtt -77.34 -30.21 53.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.379 -179.68 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -66.03 -47.54 74.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.537 -179.279 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 45.1 t-20 . . . . . 0 C--N 1.328 -0.354 0 CA-C-O 120.852 0.358 . . . . 0.0 110.592 -179.562 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 . . . . . 0 CA--C 1.528 0.125 0 CA-C-O 120.825 0.345 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -54.05 -46.35 71.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.551 -179.149 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.3 m -84.43 -35.89 22.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.412 -179.299 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.9 tp -76.66 -15.77 59.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.521 -179.08 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -60.99 -46.03 92.4 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.292 -179.396 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.458 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.4 OUTLIER -105.28 7.89 9.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.101 -179.586 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.47 -64.15 3.08 Favored Glycine 0 CA--C 1.527 0.8 0 C-N-CA 120.73 -0.748 . . . . 0.0 111.286 -179.603 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.91 -35.44 86.91 Favored Glycine 0 CA--C 1.53 0.974 0 C-N-CA 121.231 -0.509 . . . . 0.0 112.478 -178.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.425 HD12 ' N ' ' A' ' 21' ' ' LEU . 10.3 mp -64.99 -47.68 76.67 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 -178.456 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 18' ' ' ILE . 94.7 t -66.5 -44.56 90.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -178.271 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.0 pt -69.65 -46.59 74.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 C-N-CA 120.463 -0.495 . . . . 0.0 112.131 -178.696 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.87 -41.63 82.85 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.084 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.67 -41.99 99.68 Favored Glycine 0 CA--C 1.526 0.781 0 N-CA-C 111.395 -0.682 . . . . 0.0 111.395 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.3 tt -62.33 -36.33 74.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.563 -178.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 34.7 tp -64.94 -47.26 78.3 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.434 -0.507 . . . . 0.0 110.176 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -67.96 -36.41 80.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.337 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.6 tt -66.15 -40.72 87.82 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.416 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.1 mt -64.84 -33.97 77.25 Favored 'General case' 0 N--CA 1.431 -1.376 0 N-CA-C 104.382 -2.451 . . . . 0.0 104.382 174.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.472 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -57.76 -50.42 65.74 Favored Glycine 0 CA--C 1.528 0.844 0 CA-C-N 113.565 -1.652 . . . . 0.0 111.652 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 74.1 mt -70.48 -44.42 77.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.643 0.259 . . . . 0.0 111.423 -179.349 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.49 -46.23 87.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.899 0.38 . . . . 0.0 110.404 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 54.8 mt -60.57 -43.75 95.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.482 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 31' ' ' GLY . 31.1 t -56.95 -51.06 73.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.896 -179.28 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.0 mt -66.5 -32.82 74.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.924 0.392 . . . . 0.0 110.605 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 50.3 m -62.47 -35.15 78.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.21 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.06 -35.75 69.71 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.481 -179.438 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.2 mtm180 -65.17 -28.38 69.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.672 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.58 ' SG ' ' N ' ' A' ' 41' ' ' ARG . 0.5 OUTLIER -61.64 -40.85 96.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.263 -179.5 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.58 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 75.1 ttt180 -63.51 -48.6 76.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.77 0.319 . . . . 0.0 111.022 -179.698 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.3 m -72.28 -34.38 68.14 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.936 -179.374 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -78.29 -26.71 47.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.623 -179.663 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -68.12 -27.25 66.29 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.963 -0.295 . . . . 0.0 111.418 -178.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.354 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.593 -179.556 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.419 ' O ' ' N ' ' A' ' 17' ' ' GLN . 22.9 m-85 . . . . . 0 N--CA 1.458 -0.03 0 CA-C-O 120.834 0.35 . . . . 0.0 110.248 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 89.1 mm-40 -51.48 -50.75 59.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.418 -179.149 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 82.5 p -83.28 -32.23 26.49 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.996 -0.282 . . . . 0.0 111.325 -179.336 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.0 tp -80.74 -6.83 59.0 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.184 -179.453 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 13' ' ' TYR . 6.4 mm-40 -68.95 -50.52 48.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.52 -179.491 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.644 HG22 HG23 ' A' ' 22' ' ' VAL . 2.3 mt -96.83 -5.52 9.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.587 -0.278 . . . . 0.0 111.597 -178.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.7 -81.68 0.06 OUTLIER Glycine 0 CA--C 1.528 0.894 0 N-CA-C 111.747 -0.541 . . . . 0.0 111.747 -179.358 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.473 ' HA2' HD11 ' A' ' 23' ' ' ILE . . . -44.38 -32.35 2.67 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 112.191 -0.364 . . . . 0.0 112.191 -178.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 21.4 mt -69.26 -46.32 67.57 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -178.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.644 HG23 HG22 ' A' ' 18' ' ' ILE . 54.7 t -68.34 -49.23 68.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -178.413 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.473 HD11 ' HA2' ' A' ' 20' ' ' GLY . 6.2 pt -63.99 -41.34 92.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 C-N-CA 120.803 -0.359 . . . . 0.0 111.424 -179.006 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.46 -43.82 96.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.865 0.364 . . . . 0.0 110.713 -179.652 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.68 -37.48 94.31 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 82.9 mt -62.01 -43.09 97.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 121.036 -0.266 . . . . 0.0 111.28 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 tt -61.19 -47.22 87.13 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.006 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -70.36 -38.85 74.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.03 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 18.6 mt -59.69 -45.43 94.42 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.493 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.2 mt -64.08 -33.22 75.26 Favored 'General case' 0 N--CA 1.431 -1.389 0 N-CA-C 104.377 -2.453 . . . . 0.0 104.377 175.277 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.763 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -55.91 -52.31 49.66 Favored Glycine 0 CA--C 1.534 1.261 0 CA-C-N 113.841 -1.527 . . . . 0.0 111.8 -179.555 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 12.6 mm -70.49 -44.97 76.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 117.265 0.532 . . . . 0.0 111.54 -179.362 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 97.0 mt -60.14 -47.08 87.41 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.924 0.393 . . . . 0.0 110.118 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 58.0 mt -60.54 -46.43 95.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.591 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 31' ' ' GLY . 96.5 t -56.8 -52.07 59.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 120.697 -0.401 . . . . 0.0 111.004 -179.228 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.9 mp -65.4 -33.36 75.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.808 0.337 . . . . 0.0 110.471 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 68.8 m -61.6 -36.06 79.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.333 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.436 ' NH1' ' NH2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -57.92 -34.24 69.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.956 -179.468 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 75.5 mtp85 -63.35 -29.92 71.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.782 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 60.5 m -59.18 -45.26 91.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.212 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.436 ' NH2' ' NH1' ' A' ' 38' ' ' ARG . 40.5 ttp180 -58.17 -42.64 86.46 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.878 0.371 . . . . 0.0 110.834 -179.7 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.6 m -75.87 -34.67 60.03 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.685 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -77.94 -28.81 49.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.598 -179.576 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.413 ' CD1' ' C ' ' A' ' 44' ' ' PHE . 24.8 t80 -65.77 -47.46 75.12 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.619 -178.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.421 ' OD1' ' O ' ' A' ' 41' ' ' ARG . 5.4 p30 . . . . . 0 C--N 1.327 -0.376 0 CA-C-O 120.808 0.337 . . . . 0.0 110.808 -179.63 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 . . . . . 0 N--CA 1.46 0.068 0 CA-C-O 120.809 0.338 . . . . 0.0 110.432 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 46.0 mm-40 -51.93 -51.47 56.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.508 -179.208 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 83.6 p -83.14 -32.88 26.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.78 0.324 . . . . 0.0 111.533 -179.099 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.8 tp -79.77 -7.9 58.93 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.46 -178.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -68.58 -52.87 26.98 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.921 -0.312 . . . . 0.0 111.057 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.453 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -94.12 -2.0 10.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.058 -179.427 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -53.58 -99.59 0.01 OUTLIER Glycine 0 CA--C 1.529 0.91 0 N-CA-C 111.823 -0.511 . . . . 0.0 111.823 -179.505 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -38.84 -35.08 0.32 Allowed Glycine 0 CA--C 1.527 0.827 0 N-CA-C 112.199 -0.361 . . . . 0.0 112.199 -179.071 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.0 mp -57.61 -51.23 70.34 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.629 -0.429 . . . . 0.0 110.922 -179.416 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 18' ' ' ILE . 73.2 t -67.42 -49.39 71.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.3 -179.454 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.3 mm -56.8 -46.27 83.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.883 -179.495 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.8 -38.07 74.87 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.537 -0.465 . . . . 0.0 109.768 179.395 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.0 -42.24 96.81 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.486 -0.645 . . . . 0.0 111.486 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.6 mm -64.52 -44.6 96.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 C-N-CA 120.546 -0.462 . . . . 0.0 111.49 -179.242 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 24.8 tp -57.11 -47.19 81.69 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.565 -0.454 . . . . 0.0 111.387 -178.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -71.63 -36.76 70.86 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.35 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 34.9 mt -65.25 -45.83 92.49 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.326 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.8 tp -64.68 -34.39 78.18 Favored 'General case' 0 N--CA 1.437 -1.094 0 N-CA-C 104.746 -2.316 . . . . 0.0 104.746 176.129 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.664 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -56.92 -49.96 67.47 Favored Glycine 0 CA--C 1.532 1.096 0 CA-C-N 113.363 -1.744 . . . . 0.0 111.203 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 75.8 mt -70.35 -44.95 77.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.638 0.256 . . . . 0.0 111.391 -179.376 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.33 -46.35 90.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.076 0.465 . . . . 0.0 109.877 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.4 mt -59.97 -46.11 94.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.414 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 31' ' ' GLY . 56.0 t -56.81 -52.26 57.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.851 -179.109 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 79.4 mt -66.25 -33.88 76.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.531 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.498 ' O ' ' SG ' ' A' ' 40' ' ' CYS . 59.7 m -61.91 -35.28 77.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.278 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.7 mmt180 -56.86 -31.84 65.21 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.618 -179.211 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.733 HH12 ' HZ2' ' A' ' 43' ' ' LYS . 19.6 mtp-105 -67.13 -31.73 72.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.642 179.763 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.516 ' SG ' ' N ' ' A' ' 41' ' ' ARG . 1.7 p -57.93 -38.17 75.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.488 -179.648 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.516 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 37.1 ttp180 -63.45 -43.92 96.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.624 0.25 . . . . 0.0 111.306 -179.586 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 21.7 m -75.12 -38.97 60.93 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.284 -179.345 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.733 ' HZ2' HH12 ' A' ' 39' ' ' ARG . 39.7 mtmt -72.85 -23.13 60.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.808 -179.2 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.478 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 49.5 t80 -67.53 -48.72 66.2 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.351 -0.54 . . . . 0.0 112.187 -178.406 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.478 ' CB ' ' O ' ' A' ' 44' ' ' PHE . 0.8 OUTLIER . . . . . 0 N--CA 1.475 0.795 0 O-C-N 123.724 0.64 . . . . 0.0 110.054 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.457 ' O ' ' N ' ' A' ' 17' ' ' GLN . 53.0 m-85 . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.638 0.256 . . . . 0.0 110.506 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -51.43 -52.36 46.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.771 -179.484 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 93.3 p -83.13 -32.19 26.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.795 0.331 . . . . 0.0 110.973 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 tp -79.69 -3.06 45.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.002 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 13' ' ' TYR . 18.2 tt0 -76.89 -42.51 39.51 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.439 -179.338 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.424 ' O ' ' O ' ' A' ' 19' ' ' GLY . 0.3 OUTLIER -102.99 -16.65 7.41 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 CA-C-O 120.772 0.32 . . . . 0.0 111.146 -178.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.52 ' O ' ' N ' ' A' ' 21' ' ' LEU . . . -42.29 -98.03 0.01 OUTLIER Glycine 0 CA--C 1.527 0.788 0 C-N-CA 121.257 -0.497 . . . . 0.0 111.922 -179.114 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -35.58 -26.92 0.01 OUTLIER Glycine 0 CA--C 1.525 0.706 0 N-CA-C 112.226 -0.35 . . . . 0.0 112.226 -179.127 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.52 ' N ' ' O ' ' A' ' 19' ' ' GLY . 2.9 mp -68.6 -51.46 42.17 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.105 -179.688 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.414 HG23 HD12 ' A' ' 18' ' ' ILE . 14.4 t -68.4 -49.76 63.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.196 -179.733 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 36.7 mm -55.45 -45.05 78.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-O 120.913 0.387 . . . . 0.0 110.367 -179.411 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.67 -37.68 76.55 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.885 179.466 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.94 -37.92 95.33 Favored Glycine 0 CA--C 1.528 0.874 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.046 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 12.6 mm -66.87 -44.65 88.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 C-N-CA 120.317 -0.553 . . . . 0.0 111.519 -179.089 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 34.2 tp -60.69 -47.87 84.35 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 120.82 0.343 . . . . 0.0 111.37 -178.61 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -69.55 -38.06 77.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.79 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.9 mt -60.73 -43.69 95.68 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.704 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.151 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 mp -63.85 -33.44 75.69 Favored 'General case' 0 N--CA 1.432 -1.372 0 N-CA-C 104.914 -2.254 . . . . 0.0 104.914 175.678 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.555 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -56.19 -50.64 60.84 Favored Glycine 0 CA--C 1.531 1.053 0 CA-C-N 114.223 -1.353 . . . . 0.0 111.559 -179.535 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.8 mm -70.12 -44.48 78.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.951 0.375 . . . . 0.0 111.576 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.4 mt -63.65 -47.92 79.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.057 0.456 . . . . 0.0 110.736 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 72.6 mt -60.37 -44.82 96.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.615 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 31' ' ' GLY . 40.5 t -56.44 -52.2 55.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.546 -179.217 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 83.0 mt -66.27 -31.85 72.91 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.346 179.542 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.1 t -61.46 -37.04 82.15 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.144 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.9 mtt85 -57.76 -40.1 78.97 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.644 -179.457 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 71.7 mtt85 -57.53 -28.35 63.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.6 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 30.8 m -61.03 -49.27 78.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.048 -179.637 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.8 mtm180 -54.8 -38.84 67.8 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.808 -179.493 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.3 m -77.03 -38.02 53.7 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.706 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -76.09 -27.68 57.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.455 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -65.25 -48.44 73.24 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.779 -0.368 . . . . 0.0 111.652 -178.731 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 . . . . . 0 C--N 1.326 -0.454 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.685 -179.885 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 . . . . . 0 C--O 1.227 -0.092 0 CA-C-O 120.513 0.197 . . . . 0.0 110.77 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -51.08 -46.48 61.77 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.769 -178.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 74.5 p -83.91 -32.39 25.16 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -178.812 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.1 tp -79.17 -12.0 59.98 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -178.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -64.25 -52.46 58.58 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.543 -0.463 . . . . 0.0 111.143 -179.503 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.73 HG22 HG23 ' A' ' 22' ' ' VAL . 10.7 mm -93.24 -11.8 9.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.969 0.414 . . . . 0.0 110.948 -179.51 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -43.48 -96.91 0.01 OUTLIER Glycine 0 CA--C 1.531 1.056 0 C-N-CA 121.398 -0.43 . . . . 0.0 112.254 -179.46 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -39.69 -37.14 0.84 Allowed Glycine 0 CA--C 1.528 0.896 0 N-CA-C 112.632 -0.187 . . . . 0.0 112.632 -178.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.1 mp -54.74 -50.71 67.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 117.117 0.458 . . . . 0.0 111.012 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.73 HG23 HG22 ' A' ' 18' ' ' ILE . 58.9 t -67.5 -49.07 74.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.421 -179.455 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.3 mm -56.86 -46.26 83.53 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.167 0 CA-C-O 120.889 0.376 . . . . 0.0 110.778 -179.231 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.36 -34.99 76.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.982 0.42 . . . . 0.0 110.293 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.75 -41.45 97.61 Favored Glycine 0 CA--C 1.526 0.735 0 CA-C-N 115.793 -0.639 . . . . 0.0 112.296 -179.48 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.519 HG23 ' O ' ' A' ' 22' ' ' VAL . 0.2 OUTLIER -69.37 -38.93 78.22 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 CA-C-N 117.543 0.671 . . . . 0.0 112.125 -178.489 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.2 tt -64.46 -47.7 78.03 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.036 0.446 . . . . 0.0 111.332 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.511 ' CE2' HD11 ' A' ' 32' ' ' ILE . 88.3 t80 -71.48 -37.27 71.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.109 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 12.1 mt -61.3 -47.17 94.71 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.794 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 178.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.4 mt -59.76 -33.44 71.67 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 105.09 -2.189 . . . . 0.0 105.09 175.333 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.571 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -56.34 -48.86 72.31 Favored Glycine 0 CA--C 1.53 1.017 0 CA-C-N 114.285 -1.325 . . . . 0.0 111.219 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.511 HD11 ' CE2' ' A' ' 28' ' ' PHE . 87.5 mt -70.39 -45.03 76.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -179.482 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.0 mt -63.73 -44.84 92.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.172 0.511 . . . . 0.0 110.286 -179.659 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 48.9 mt -60.29 -46.23 95.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.476 -179.505 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 31' ' ' GLY . 52.9 t -56.69 -52.0 59.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.796 -179.086 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 78.1 mt -66.23 -33.0 74.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.599 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 52.3 m -64.28 -35.82 82.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.163 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -57.34 -33.0 67.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.641 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 23.4 ttt180 -64.96 -29.38 70.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.674 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 48.5 m -59.08 -48.36 81.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.529 -179.341 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 49.6 ttm-85 -55.23 -43.06 74.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.033 -179.552 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -78.97 -31.87 45.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.092 -179.358 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.6 mmtm -78.58 -28.01 45.75 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.509 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.46 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 2.5 m-85 -65.75 -49.84 66.92 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.37 -0.532 . . . . 0.0 112.101 -178.116 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 44' ' ' PHE . 11.7 m-20 . . . . . 0 N--CA 1.478 0.951 0 O-C-N 123.889 0.743 . . . . 0.0 110.165 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.8 m -132.76 58.71 37.84 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.699 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -70.9 -18.44 31.63 Favored 'Trans proline' 0 C--N 1.307 -1.652 0 C-N-CA 122.663 2.242 . . . . 0.0 112.046 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -74.64 -30.78 61.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.545 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.6 tp10 -55.97 -34.81 66.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.464 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -62.95 -37.34 86.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.05 161.16 64.01 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.66 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.422 ' O ' ' O ' ' A' ' 11' ' ' TYR . 46.5 Cg_endo -70.74 -13.67 32.39 Favored 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 122.495 2.13 . . . . 0.0 112.183 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -48.7 -42.53 35.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.747 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 97.0 m -65.19 -26.75 68.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.852 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.422 ' O ' ' O ' ' A' ' 8' ' ' PRO . 96.8 m-85 -102.99 137.02 41.74 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.955 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 54.7 p30 -85.23 -0.3 54.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.275 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -84.29 32.13 0.5 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.61 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -51.46 -48.24 62.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 82.4 p -84.52 -32.36 23.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 112.025 -179.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 tp -80.69 -4.05 52.93 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -178.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -73.75 -47.09 41.75 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.62 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.647 HG22 HG23 ' A' ' 22' ' ' VAL . 13.9 mm -95.96 -27.38 4.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 120.674 0.273 . . . . 0.0 111.396 -179.154 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -37.51 -81.88 0.02 OUTLIER Glycine 0 CA--C 1.528 0.896 0 CA-C-N 116.168 -0.469 . . . . 0.0 112.128 -179.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.462 ' HA2' HD11 ' A' ' 23' ' ' ILE . . . -42.36 -37.84 2.62 Favored Glycine 0 CA--C 1.529 0.913 0 N-CA-C 112.22 -0.352 . . . . 0.0 112.22 -179.016 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.7 mt -65.44 -44.2 88.07 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -178.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.647 HG23 HG22 ' A' ' 18' ' ' ILE . 18.3 t -68.32 -49.28 68.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -178.479 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.462 HD11 ' HA2' ' A' ' 20' ' ' GLY . 8.3 pt -65.0 -41.77 92.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 120.976 -0.29 . . . . 0.0 111.517 -178.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.14 -45.07 94.28 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.193 0.52 . . . . 0.0 110.224 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.92 -36.2 93.1 Favored Glycine 0 CA--C 1.525 0.665 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.61 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -65.65 -36.05 76.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.415 -0.514 . . . . 0.0 110.867 -179.327 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.7 tp -64.87 -47.37 78.11 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.48 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -71.13 -36.39 72.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.465 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 30.6 mt -65.19 -44.99 95.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 179.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.6 tp -64.77 -34.28 77.98 Favored 'General case' 0 N--CA 1.436 -1.161 0 N-CA-C 105.27 -2.122 . . . . 0.0 105.27 176.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.511 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -59.5 -52.35 53.62 Favored Glycine 0 CA--C 1.531 1.034 0 CA-C-N 113.15 -1.841 . . . . 0.0 111.544 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 87.7 mt -63.96 -44.59 97.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.608 0.242 . . . . 0.0 111.161 -179.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.4 mt -63.62 -44.27 94.41 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 23.5 mt -61.03 -45.75 97.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.247 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 31' ' ' GLY . 49.3 t -57.05 -52.16 59.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.108 -179.068 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 76.8 mt -66.36 -32.28 73.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.636 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.446 ' O ' ' SG ' ' A' ' 40' ' ' CYS . 73.6 m -61.26 -35.84 78.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.563 -179.374 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -57.2 -34.15 68.24 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.572 -179.214 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 44.7 mmt-85 -63.34 -31.25 72.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.458 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.58 ' SG ' ' N ' ' A' ' 41' ' ' ARG . 0.8 OUTLIER -59.57 -39.27 83.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.704 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.58 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 76.6 mtt-85 -62.58 -45.47 92.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.053 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 7.8 m -79.0 -33.55 44.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.055 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -72.94 -30.28 63.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.379 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.497 ' CE2' ' CG2' ' A' ' 59' ' ' THR . 6.9 t80 -65.59 -47.25 76.38 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.049 0.388 . . . . 0.0 112.049 -178.67 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -76.41 108.59 9.49 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.574 -0.45 . . . . 0.0 111.011 -179.306 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.414 ' O ' ' O ' ' A' ' 49' ' ' ARG . 56.2 tt0 -58.51 -31.5 67.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.978 179.334 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -62.0 -40.18 94.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.49 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -70.67 -45.55 64.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.722 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.414 ' O ' ' O ' ' A' ' 46' ' ' GLN . 15.9 mmt85 -133.79 149.79 51.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.769 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 36.6 m -57.57 -33.4 68.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.637 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -50.45 148.11 7.4 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.62 157.56 35.11 Favored Pre-proline 0 C--N 1.328 -0.329 0 N-CA-C 110.351 -0.24 . . . . 0.0 110.351 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -36.76 151.06 0.04 OUTLIER 'Trans proline' 0 C--N 1.313 -1.317 0 C-N-CA 122.577 2.185 . . . . 0.0 112.27 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.454 ' C ' ' H ' ' A' ' 56' ' ' GLU . 0.8 OUTLIER -164.49 169.67 16.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.693 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.496 ' C ' ' H ' ' A' ' 57' ' ' GLU . 3.5 tp10 68.17 -6.56 0.74 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.6 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.454 ' H ' ' C ' ' A' ' 54' ' ' ASP . 86.3 mt-10 56.83 4.19 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.451 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.496 ' H ' ' C ' ' A' ' 55' ' ' GLU . 93.8 mt-10 -74.11 -65.65 0.82 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.342 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.46 ' C ' ' H ' ' A' ' 60' ' ' PHE . . . 72.69 -157.23 52.49 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.497 ' CG2' ' CE2' ' A' ' 44' ' ' PHE . 5.2 p -73.57 41.12 0.11 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.923 0.392 . . . . 0.0 110.017 179.526 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.46 ' H ' ' C ' ' A' ' 58' ' ' GLY . 81.4 t80 -68.7 -44.27 74.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.878 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 85.8 mtt-85 -60.52 -32.13 71.17 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.465 -0.788 . . . . 0.0 109.565 178.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.8 m -60.67 -32.9 72.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.326 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 p -63.75 -28.92 70.21 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 29.6 mt -68.18 -32.97 58.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.246 179.216 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 64.1 mtm180 -57.87 -30.89 66.18 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.502 ' O ' ' N ' ' A' ' 70' ' ' ARG . 69.8 mtm180 -55.82 -34.32 65.26 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 178.217 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.9 tp -56.34 -22.73 32.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.898 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 85.3 p -72.0 -48.1 47.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.779 -179.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 77.6 p -106.15 -39.55 5.92 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.805 0.336 . . . . 0.0 111.165 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 66' ' ' ARG . 83.2 mtp180 55.26 -126.4 2.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.113 -0.494 . . . . 0.0 112.006 179.419 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 70.4 ttt-85 -53.66 141.65 25.53 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 121.105 0.478 . . . . 0.0 111.65 -178.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 61.4 ttt180 . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.547 179.685 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.55 162.5 55.8 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.422 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -70.04 -22.15 31.2 Favored 'Trans proline' 0 C--N 1.309 -1.544 0 C-N-CA 122.596 2.197 . . . . 0.0 112.188 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 28.9 mmtm -74.84 -21.1 59.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.65 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -99.09 151.57 20.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.612 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -110.39 148.77 31.34 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.424 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -130.56 161.43 60.86 Favored Pre-proline 0 CA--C 1.529 0.145 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.472 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' A' ' 11' ' ' TYR . 44.6 Cg_endo -70.3 -7.29 20.88 Favored 'Trans proline' 0 N--CA 1.492 1.438 0 C-N-CA 122.58 2.187 . . . . 0.0 112.221 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -48.42 -33.03 8.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.617 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 33.5 m -50.1 -41.02 47.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.644 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.41 ' O ' ' O ' ' A' ' 8' ' ' PRO . 68.1 m-85 -128.96 138.65 52.1 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.501 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -109.35 90.65 3.36 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.669 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -92.93 30.96 1.48 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.372 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -51.98 -49.79 62.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.103 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 83.7 p -84.53 -32.73 23.73 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.826 -0.349 . . . . 0.0 111.275 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 tp -79.07 -5.55 54.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.301 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -72.83 -53.34 11.74 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.871 -0.332 . . . . 0.0 111.22 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.518 HG22 HG23 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -91.22 -4.95 10.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.806 0.336 . . . . 0.0 111.369 -179.279 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 21' ' ' LEU . . . -51.08 -105.34 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 C-N-CA 121.194 -0.527 . . . . 0.0 111.844 -179.419 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -33.51 -32.52 0.01 OUTLIER Glycine 0 CA--C 1.528 0.886 0 CA-C-N 115.612 -0.294 . . . . 0.0 112.714 -178.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 19' ' ' GLY . 28.6 mt -63.91 -51.03 66.39 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.919 -179.442 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.518 HG23 HG22 ' A' ' 18' ' ' ILE . 78.1 t -67.81 -49.65 67.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.861 -0.336 . . . . 0.0 111.063 -179.578 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.9 mm -57.65 -45.95 86.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.525 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.42 -37.37 72.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.057 0.456 . . . . 0.0 110.028 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.37 -41.1 99.44 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.395 -0.682 . . . . 0.0 111.395 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.6 mm -64.52 -44.44 96.89 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.151 0 C-N-CA 120.385 -0.526 . . . . 0.0 111.319 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 30.4 tp -58.14 -47.82 82.14 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 120.654 0.264 . . . . 0.0 111.538 -178.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.403 ' O ' ' N ' ' A' ' 31' ' ' GLY . 17.2 m-85 -70.54 -41.12 72.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.766 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.9 mt -58.7 -44.75 90.6 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.377 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.8 mp -63.76 -33.63 76.08 Favored 'General case' 0 N--CA 1.434 -1.268 0 N-CA-C 104.511 -2.403 . . . . 0.0 104.511 175.462 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . -56.33 -51.48 55.87 Favored Glycine 0 CA--C 1.533 1.182 0 CA-C-N 113.669 -1.605 . . . . 0.0 111.937 -179.381 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 15.4 mm -70.51 -44.71 76.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 116.86 0.33 . . . . 0.0 111.333 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.9 mt -61.01 -46.18 91.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.173 0.511 . . . . 0.0 110.031 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.3 mt -60.21 -44.67 95.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.824 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 34.4 t -59.5 -52.92 55.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 N-CA-C 112.138 0.422 . . . . 0.0 112.138 -178.27 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.2 mp -66.63 -31.84 72.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.951 0.405 . . . . 0.0 110.271 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.49 ' O ' ' SG ' ' A' ' 40' ' ' CYS . 21.8 m -60.77 -35.82 77.4 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.346 -179.462 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -57.13 -37.08 71.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.853 0.359 . . . . 0.0 110.535 -179.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 52.6 ttt85 -60.45 -29.38 68.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.414 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.574 ' SG ' ' N ' ' A' ' 41' ' ' ARG . 0.8 OUTLIER -59.86 -40.78 89.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.968 -179.816 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.574 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 56.5 ttt85 -61.22 -44.84 96.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.83 0.348 . . . . 0.0 110.485 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.3 m -72.75 -46.18 54.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.576 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.402 ' NZ ' ' O ' ' A' ' 52' ' ' GLU . 13.2 tttm -67.09 -27.63 67.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.158 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -66.29 -45.52 80.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.396 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -79.23 110.63 14.69 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.533 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -59.41 -34.52 72.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.431 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -58.4 -42.45 87.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.74 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 38.3 tp60 -67.99 -47.21 69.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.606 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 57.0 mtt180 -146.85 140.58 25.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.456 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 70.1 p -90.33 148.26 22.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.503 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 153.36 -153.25 24.72 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.402 ' O ' ' NZ ' ' A' ' 43' ' ' LYS . 3.1 mp0 -109.27 101.89 47.12 Favored Pre-proline 0 CA--C 1.542 0.657 0 CA-C-O 119.373 -0.346 . . . . 0.0 110.46 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_exo -54.13 149.8 34.42 Favored 'Trans proline' 0 N--CA 1.495 1.607 0 C-N-CA 121.612 1.541 . . . . 0.0 111.968 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -67.34 144.55 55.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.462 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.41 ' O ' ' CB ' ' A' ' 56' ' ' GLU . 96.6 mt-10 -56.0 143.14 33.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.73 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' A' ' 57' ' ' GLU . 9.8 tt0 75.47 20.15 2.0 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.593 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' A' ' 56' ' ' GLU . 95.4 mt-10 53.94 168.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.62 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.456 ' C ' ' H ' ' A' ' 60' ' ' PHE . . . -115.35 -17.29 6.71 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 12.1 t -74.62 18.65 0.16 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.703 0.287 . . . . 0.0 110.713 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.456 ' H ' ' C ' ' A' ' 58' ' ' GLY . 80.1 t80 -69.1 -43.88 73.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.482 0.658 . . . . 0.0 109.287 179.485 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.403 ' O ' HG22 ' A' ' 64' ' ' ILE . 43.6 mtp85 -63.7 -31.89 73.21 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.699 -1.137 . . . . 0.0 110.379 179.22 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 58.1 m -59.76 -32.29 70.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.173 -179.459 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.0 m -63.69 -25.67 68.31 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.403 HG22 ' O ' ' A' ' 61' ' ' ARG . 1.4 tt -62.7 -31.96 53.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.354 179.472 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 63.8 ttt-85 -57.43 -30.47 65.02 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.658 HH12 ' NH1' ' A' ' 70' ' ' ARG . 19.4 ptt85 -55.91 -34.62 65.74 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 178.316 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.8 tp -57.28 -22.75 43.76 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.103 178.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.0 t -72.21 -48.53 42.27 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.765 -178.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.424 ' O ' ' O ' ' A' ' 72' ' ' ARG . 0.1 OUTLIER -106.42 -39.56 5.85 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.742 0.306 . . . . 0.0 111.303 -179.387 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.658 ' NH1' HH12 ' A' ' 66' ' ' ARG . 0.0 OUTLIER -57.75 -69.5 0.17 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.759 0.314 . . . . 0.0 110.783 -179.813 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 58.1 ttt85 -41.69 -36.93 1.07 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.446 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.424 ' O ' ' O ' ' A' ' 69' ' ' THR . 56.2 ttt180 . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.683 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.508 ' N ' ' OE2' ' A' ' 5' ' ' GLU . 96.3 mt-10 . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.61 162.51 20.2 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.481 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -69.82 -7.52 21.29 Favored 'Trans proline' 0 C--N 1.309 -1.528 0 C-N-CA 122.566 2.177 . . . . 0.0 112.146 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 57.2 mmtt -74.83 -10.28 59.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.576 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.508 ' OE2' ' N ' ' A' ' 1' ' ' GLU . 95.9 mt-10 -72.85 139.12 46.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.463 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -98.3 1.24 46.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.703 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.23 161.2 33.57 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.602 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -71.67 -23.55 22.77 Favored 'Trans proline' 0 N--CA 1.494 1.514 0 C-N-CA 122.657 2.238 . . . . 0.0 112.284 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -48.03 -21.73 0.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.623 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 34.9 m -56.88 -31.63 65.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.664 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -106.31 138.94 41.59 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.747 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.478 ' C ' ' H ' ' A' ' 14' ' ' GLN . 84.4 m-20 -69.11 -20.8 64.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.631 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -73.67 32.57 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.793 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.478 ' H ' ' C ' ' A' ' 12' ' ' ASP . 11.1 tp-100 -51.46 -52.13 49.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.035 -179.486 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 83.7 p -83.81 -30.72 26.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.405 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 tp -82.14 -3.35 54.68 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.435 -179.262 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.519 ' O ' ' NE2' ' A' ' 17' ' ' GLN . 19.7 tp60 -77.48 -45.26 26.18 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.236 -179.575 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.592 ' O ' HG22 ' A' ' 18' ' ' ILE . 42.4 mm -100.31 -5.0 9.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.668 0.271 . . . . 0.0 111.111 -179.526 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 21' ' ' LEU . . . -50.02 -99.43 0.01 OUTLIER Glycine 0 CA--C 1.528 0.9 0 C-N-CA 121.206 -0.521 . . . . 0.0 111.955 -179.412 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -36.32 -29.3 0.02 OUTLIER Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.961 -0.455 . . . . 0.0 111.961 -179.128 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 19' ' ' GLY . 3.4 mp -62.26 -51.43 67.76 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.871 -0.332 . . . . 0.0 111.072 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.1 t -69.32 -49.48 60.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.068 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 79.3 mt -58.49 -46.28 89.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.942 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.77 -45.6 82.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.99 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.48 -35.44 91.07 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 111.504 -0.638 . . . . 0.0 111.504 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 83.9 mt -64.33 -44.46 97.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -178.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 54.7 mt -63.62 -47.55 80.94 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.824 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.47 ' CE1' HD11 ' A' ' 32' ' ' ILE . 56.4 t80 -66.73 -39.17 87.85 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.829 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 18.5 mt -63.94 -41.13 91.53 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.365 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.0 mt -64.7 -33.97 77.22 Favored 'General case' 0 N--CA 1.435 -1.196 0 N-CA-C 104.902 -2.258 . . . . 0.0 104.902 175.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.416 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -56.95 -52.23 52.42 Favored Glycine 0 CA--C 1.531 1.088 0 CA-C-N 113.184 -1.825 . . . . 0.0 111.699 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.47 HD11 ' CE1' ' A' ' 28' ' ' PHE . 31.9 mm -66.01 -44.84 92.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.225 0 O-C-N 122.575 -0.368 . . . . 0.0 111.333 -179.285 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 91.1 mt -63.6 -44.25 94.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.052 0.454 . . . . 0.0 110.1 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 32.0 mt -60.69 -47.74 91.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.371 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 31' ' ' GLY . 41.2 t -56.87 -52.68 52.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.164 -179.142 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 82.9 mt -66.29 -33.83 76.62 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.744 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 73.5 m -61.54 -36.63 81.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.304 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -57.5 -37.25 72.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.873 0.368 . . . . 0.0 110.83 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.589 ' HD3' ' HZ2' ' A' ' 43' ' ' LYS . 56.7 ttt180 -59.61 -27.59 66.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.595 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 35.4 m -60.33 -44.7 95.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.987 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -56.96 -41.44 78.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.559 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.57 -36.37 57.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.589 ' HZ2' ' HD3' ' A' ' 39' ' ' ARG . 66.4 mttt -76.73 -30.31 56.57 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.52 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.601 ' CE2' ' ND2' ' A' ' 45' ' ' ASN . 39.0 t80 -65.25 -48.47 73.15 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.62 -178.807 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.601 ' ND2' ' CE2' ' A' ' 44' ' ' PHE . 65.8 m-20 -146.1 87.04 1.72 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.747 0.308 . . . . 0.0 110.639 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -68.29 -20.71 64.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.216 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -59.9 -39.44 85.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.696 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -55.89 -40.32 72.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.905 0.383 . . . . 0.0 110.297 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -64.54 -30.86 71.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.289 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 34.3 m -79.93 150.5 30.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.666 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 78.61 -127.19 7.95 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.51 ' N ' ' OE1' ' A' ' 52' ' ' GLU . 3.7 pm0 -109.38 101.79 47.01 Favored Pre-proline 0 CA--C 1.54 0.596 0 CA-C-O 119.401 -0.333 . . . . 0.0 110.353 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -54.66 144.96 62.07 Favored 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 121.527 1.484 . . . . 0.0 112.022 179.489 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 59.0 p30 -162.71 -179.5 6.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.571 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.598 ' CD ' ' H ' ' A' ' 55' ' ' GLU . 45.7 mp0 -54.57 -94.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.463 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 40.51 65.65 0.74 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.718 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -54.76 148.22 13.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.665 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -158.1 -38.51 0.02 OUTLIER Glycine 0 CA--C 1.527 0.805 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.408 ' O ' ' OG ' ' A' ' 62' ' ' SER . 0.4 OUTLIER -66.33 161.97 21.25 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -69.46 -38.64 77.84 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 179.091 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.9 mmt85 -71.16 -32.64 69.17 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.395 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.408 ' OG ' ' O ' ' A' ' 59' ' ' THR . 86.9 p -60.35 -32.65 71.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.175 -179.237 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.511 ' OG ' ' NH2' ' A' ' 66' ' ' ARG . 14.2 t -63.57 -26.17 68.57 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.3 tp -62.63 -32.29 54.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.125 179.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 25.9 mtp180 -57.48 -29.95 64.68 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.527 ' O ' ' N ' ' A' ' 70' ' ' ARG . 80.7 mtm180 -54.92 -34.89 63.6 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.346 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.595 ' N ' HD12 ' A' ' 67' ' ' LEU . 9.3 mp -61.93 -22.48 65.64 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.723 179.474 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.0 t -68.1 -48.56 65.14 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.971 -0.292 . . . . 0.0 111.487 -179.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 86.4 m -104.53 -38.09 6.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.094 0.473 . . . . 0.0 110.504 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.527 ' N ' ' O ' ' A' ' 66' ' ' ARG . 68.3 ttt180 -107.7 100.64 10.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.515 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 47.4 mtm180 -90.91 -125.55 0.08 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.731 0.3 . . . . 0.0 110.718 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 118.069 -0.967 . . . . 0.0 110.636 -179.786 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.77 162.54 53.89 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.525 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -69.68 -14.76 36.81 Favored 'Trans proline' 0 C--N 1.31 -1.481 0 C-N-CA 122.518 2.145 . . . . 0.0 112.183 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -74.51 -29.74 61.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.508 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -60.63 -33.92 73.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.324 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 73.0 m80 -82.31 22.48 0.83 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.434 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.43 -51.6 49.95 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.422 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -79.44 81.73 2.7 Favored 'Trans proline' 0 C--N 1.313 -1.313 0 C-N-CA 121.917 1.745 . . . . 0.0 112.229 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.522 ' CE1' ' OD1' ' A' ' 12' ' ' ASP . 36.1 p90 -110.02 136.63 48.98 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.514 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.8 m -75.11 -43.46 52.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.632 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -134.92 153.08 52.2 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.54 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.522 ' OD1' ' CE1' ' A' ' 9' ' ' PHE . 96.4 m-20 -99.14 -19.01 17.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.612 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.423 ' O ' ' N ' ' A' ' 17' ' ' GLN . 58.0 m-85 -88.96 32.75 0.8 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.527 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -51.7 -50.28 60.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.275 -179.216 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 83.0 p -84.28 -34.64 23.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.575 -179.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 tp -77.53 -14.12 59.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.626 -179.069 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 13' ' ' TYR . 26.9 tt0 -66.03 -49.68 66.88 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.909 -0.316 . . . . 0.0 111.402 -179.451 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.728 HG22 HG23 ' A' ' 22' ' ' VAL . 6.4 mt -93.85 -12.68 8.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.862 0.363 . . . . 0.0 111.161 -179.196 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -44.37 -96.44 0.01 OUTLIER Glycine 0 CA--C 1.528 0.847 0 C-N-CA 121.232 -0.508 . . . . 0.0 111.933 -179.339 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -37.01 -35.78 0.15 Allowed Glycine 0 CA--C 1.528 0.898 0 N-CA-C 112.133 -0.387 . . . . 0.0 112.133 -178.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.3 mt -58.8 -50.27 74.58 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 122.615 -0.344 . . . . 0.0 111.613 -179.102 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.728 HG23 HG22 ' A' ' 18' ' ' ILE . 73.4 t -69.22 -47.1 75.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.679 0.276 . . . . 0.0 111.599 -179.137 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 81.7 mt -62.44 -46.25 96.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.599 -178.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.95 -44.15 94.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.984 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.67 -36.39 91.53 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 64.8 mt -63.73 -43.98 98.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.358 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 31.7 tp -60.53 -46.92 88.4 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.653 0.263 . . . . 0.0 110.871 -179.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -68.76 -36.72 78.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.728 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.4 mt -64.53 -44.15 96.87 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 179.365 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.1 tp -64.77 -34.42 78.3 Favored 'General case' 0 N--CA 1.437 -1.085 0 N-CA-C 104.756 -2.313 . . . . 0.0 104.756 176.153 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.63 -51.77 55.92 Favored Glycine 0 CA--C 1.532 1.126 0 CA-C-N 113.013 -1.903 . . . . 0.0 111.706 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.0 mt -67.04 -44.64 88.16 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.115 0 O-C-N 122.729 -0.277 . . . . 0.0 111.269 -179.264 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.5 mt -63.54 -44.62 93.68 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.715 -0.394 . . . . 0.0 109.948 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 29.7 mt -60.19 -47.04 93.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.381 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 39.2 t -56.78 -51.22 69.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.701 0.286 . . . . 0.0 111.068 -179.188 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.7 tp -66.2 -35.25 79.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.105 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.78 -35.45 76.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.234 -179.303 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.22 -36.02 70.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.801 -179.272 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 34.5 mmm-85 -61.24 -27.83 68.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.628 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 44' ' ' PHE . 36.1 m -60.3 -47.55 85.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.977 -179.73 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 73.8 ttt180 -54.98 -40.24 69.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.959 0.409 . . . . 0.0 110.43 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.4 m -75.92 -37.03 59.16 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.504 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 53.7 mttt -78.26 -26.76 47.33 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.608 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 40' ' ' CYS . 2.0 m-85 -66.51 -47.01 74.32 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.261 -179.483 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -120.22 60.93 0.87 Allowed 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.588 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -64.81 -31.6 72.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.254 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -55.33 -43.38 74.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.568 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.867 ' O ' HG23 ' A' ' 50' ' ' THR . 84.2 mt-30 -63.99 -33.84 76.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.273 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.44 ' CG ' HH11 ' A' ' 49' ' ' ARG . 0.6 OUTLIER 40.49 26.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.706 179.833 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.867 HG23 ' O ' ' A' ' 48' ' ' GLN . 52.7 p -126.25 151.84 46.91 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.493 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -114.43 65.5 0.28 Allowed Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -108.92 102.11 47.15 Favored Pre-proline 0 CA--C 1.541 0.603 0 CA-C-O 119.374 -0.346 . . . . 0.0 110.396 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -52.32 137.64 55.89 Favored 'Trans proline' 0 N--CA 1.495 1.573 0 C-N-CA 121.622 1.548 . . . . 0.0 112.191 179.438 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -164.12 91.21 0.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.509 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 41.49 -114.06 0.22 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.535 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -95.22 117.28 29.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.401 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -76.35 -37.02 57.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.804 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 141.51 -25.83 2.44 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.682 HG22 ' HE ' ' A' ' 61' ' ' ARG . 0.2 OUTLIER -64.93 156.5 30.92 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 179.704 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.59 -38.09 77.2 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 179.314 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.682 ' HE ' HG22 ' A' ' 59' ' ' THR . 2.4 mtm-85 -64.44 -32.34 73.92 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.499 -1.228 . . . . 0.0 109.729 178.398 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.7 t -60.46 -32.95 71.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.964 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 70.9 p -63.92 -26.82 68.77 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.045 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.2 tt -64.26 -33.27 61.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.555 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 70.7 mtp85 -58.45 -30.24 66.77 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.266 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.559 ' NH2' ' NH1' ' A' ' 70' ' ' ARG . 43.9 mtp180 -55.49 -35.78 65.93 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.38 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.564 HD22 ' N ' ' A' ' 67' ' ' LEU . 3.8 mm? -58.73 -22.75 58.41 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.531 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 68.3 p -69.26 -47.76 63.71 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.459 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.4 p -105.58 -39.39 6.11 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.727 0.298 . . . . 0.0 111.305 -179.413 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.559 ' NH1' ' NH2' ' A' ' 66' ' ' ARG . 51.5 ttt180 -65.87 -26.5 67.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.739 -179.662 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.7 ttt-85 -137.87 -171.51 3.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.495 -179.442 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 75.3 mtp180 . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.574 179.784 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.62 162.26 74.38 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.396 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -69.7 -22.57 32.19 Favored 'Trans proline' 0 C--N 1.309 -1.52 0 C-N-CA 122.547 2.165 . . . . 0.0 112.137 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 55.0 mmtt -74.89 -7.45 53.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.554 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -96.85 153.92 17.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.607 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 44.7 m-70 -105.41 140.85 37.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.306 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -132.73 59.03 40.27 Favored Pre-proline 0 C--N 1.332 -0.157 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.74 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -71.25 -20.16 28.45 Favored 'Trans proline' 0 C--N 1.308 -1.601 0 C-N-CA 122.554 2.169 . . . . 0.0 112.148 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -55.98 -27.05 51.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.686 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 41.2 m -53.09 -34.78 58.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.648 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.427 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 95.6 m-85 -116.73 131.9 56.83 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.768 -179.762 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.427 ' OD1' ' O ' ' A' ' 11' ' ' TYR . 64.6 m-20 -161.4 -14.13 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.43 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.4 ' O ' ' N ' ' A' ' 17' ' ' GLN . 27.6 m-85 -83.54 32.03 0.46 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.699 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -51.66 -51.55 55.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.452 -179.147 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.5 t -83.69 -31.07 26.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.757 0.313 . . . . 0.0 111.422 -179.321 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.4 mt -79.74 -9.3 59.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.137 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 13' ' ' TYR . 8.5 mm-40 -70.61 -49.15 50.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.833 0.349 . . . . 0.0 110.94 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.669 HG22 HG23 ' A' ' 22' ' ' VAL . 14.1 mm -96.43 -6.15 9.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.044 -179.203 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -51.74 -95.94 0.01 OUTLIER Glycine 0 CA--C 1.528 0.879 0 C-N-CA 121.098 -0.572 . . . . 0.0 111.746 -179.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -38.1 -31.34 0.1 OUTLIER Glycine 0 CA--C 1.528 0.901 0 N-CA-C 112.253 -0.339 . . . . 0.0 112.253 -179.197 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.6 mp -61.44 -51.4 68.89 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 122.624 -0.339 . . . . 0.0 111.431 -179.162 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.669 HG23 HG22 ' A' ' 18' ' ' ILE . 61.8 t -68.41 -44.98 82.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.328 -179.149 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.0 mm -62.79 -46.42 96.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 C-N-CA 120.881 -0.327 . . . . 0.0 111.247 -179.313 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.66 -43.29 84.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.852 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.68 -38.12 95.37 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 80.4 mt -62.53 -43.09 98.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 111.673 0.249 . . . . 0.0 111.673 -179.415 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 35.9 tp -64.13 -47.6 79.33 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.724 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -67.31 -36.32 81.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.305 179.246 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.0 mt -66.58 -43.38 90.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 mt -64.71 -34.09 77.5 Favored 'General case' 0 N--CA 1.437 -1.108 0 N-CA-C 104.342 -2.466 . . . . 0.0 104.342 175.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.484 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -57.8 -51.47 57.9 Favored Glycine 0 CA--C 1.531 1.055 0 CA-C-N 112.837 -1.983 . . . . 0.0 111.625 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.1 mt -66.56 -44.5 90.05 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.139 0 O-C-N 122.705 -0.291 . . . . 0.0 111.39 -179.168 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 94.3 mt -65.03 -44.17 89.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.086 0.47 . . . . 0.0 110.221 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 32.1 mt -60.59 -46.39 95.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.362 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 31' ' ' GLY . 46.2 t -56.49 -52.29 54.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.894 -179.196 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 83.0 mt -66.47 -34.69 78.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.075 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 67.9 m -61.12 -35.57 77.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.507 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -57.49 -34.75 69.38 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.953 -0.299 . . . . 0.0 111.033 -179.254 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.3 tpp180 -61.32 -30.65 70.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.84 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -57.86 -45.57 86.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.087 -179.529 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.515 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 65.8 ttt-85 -55.83 -43.22 76.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.099 -179.591 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.42 ' O ' ' OD1' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -78.91 -32.8 45.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.468 -179.425 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.6 ttpp -73.82 -32.3 63.65 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.704 -179.05 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.462 ' CD2' ' N ' ' A' ' 45' ' ' ASN . 0.5 OUTLIER -65.91 -47.93 73.11 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -178.635 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.515 ' ND2' ' O ' ' A' ' 41' ' ' ARG . 0.1 OUTLIER -72.22 87.93 1.12 Allowed 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.301 -179.542 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -58.63 -34.21 70.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.452 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -60.26 -44.67 95.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.733 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 59.1 mm-40 -69.09 -47.13 66.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.464 -179.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -148.39 134.74 19.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.34 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 32.2 p -93.88 149.59 21.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.662 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -162.0 -127.14 0.86 Allowed Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.422 ' O ' ' O ' ' A' ' 53' ' ' PRO . 8.9 mt-10 -74.02 157.27 87.19 Favored Pre-proline 0 CA--C 1.534 0.352 0 C-N-CA 121.301 -0.16 . . . . 0.0 110.686 -179.599 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.422 ' O ' ' O ' ' A' ' 52' ' ' GLU . 74.5 Cg_exo -39.43 165.82 0.02 OUTLIER 'Trans proline' 0 N--CA 1.49 1.318 0 C-N-CA 122.58 2.187 . . . . 0.0 112.467 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 60.9 t0 -78.46 116.29 18.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.557 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -121.29 -153.45 0.55 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.239 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -44.22 141.85 1.68 Allowed 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.217 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -68.08 120.84 14.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.871 0.367 . . . . 0.0 110.893 -179.511 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.478 ' C ' ' H ' ' A' ' 60' ' ' PHE . . . -83.98 -13.76 73.93 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.254 -1.139 . . . . 0.0 110.254 179.417 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.7 t -71.94 12.53 0.39 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.954 0.407 . . . . 0.0 110.366 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.478 ' H ' ' C ' ' A' ' 58' ' ' GLY . 55.3 t80 -69.1 -37.98 78.7 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.631 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -58.7 -32.88 69.58 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.823 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.2 p -61.42 -32.51 72.46 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.573 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.75 -33.14 74.99 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.952 -0.299 . . . . 0.0 111.532 -178.753 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -63.11 -31.17 51.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.607 0.242 . . . . 0.0 111.177 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 79.4 mtt180 -56.36 -29.98 62.07 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.442 ' O ' ' CG ' ' A' ' 70' ' ' ARG . 31.4 mtm105 -54.61 -35.99 63.99 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.668 -0.494 . . . . 0.0 109.668 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.5 mt -56.45 -22.88 35.02 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.198 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.5 m -72.58 -45.99 56.49 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.865 -179.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -105.37 -39.49 6.13 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -178.324 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.442 ' CG ' ' O ' ' A' ' 66' ' ' ARG . 0.2 OUTLIER -53.01 -25.12 11.2 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.315 -0.554 . . . . 0.0 111.646 -178.623 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.41 ' O ' ' O ' ' A' ' 72' ' ' ARG . 66.3 ttt180 -153.06 155.99 37.9 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.873 -179.004 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.41 ' O ' ' O ' ' A' ' 71' ' ' ARG . 56.7 ttt85 . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 117.896 -1.05 . . . . 0.0 110.764 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t 56.78 58.32 8.4 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.631 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -71.53 -9.1 24.54 Favored 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 122.6 2.2 . . . . 0.0 112.064 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -74.93 -7.95 55.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.642 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -58.27 -37.68 75.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.273 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -105.48 131.91 52.31 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.262 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.575 ' N ' ' CD ' ' A' ' 8' ' ' PRO . 0.1 OUTLIER -93.57 -43.22 0.32 Allowed Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.153 -179.721 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.575 ' CD ' ' N ' ' A' ' 7' ' ' ASP . 48.6 Cg_endo -86.34 -47.32 0.04 OUTLIER 'Trans proline' 0 C--N 1.311 -1.413 0 C-N-CA 122.884 2.389 . . . . 0.0 112.633 -179.641 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -54.99 -14.91 1.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.606 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 30.5 m -59.42 -36.17 75.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.795 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -115.62 135.38 54.12 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.811 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.429 ' C ' ' H ' ' A' ' 14' ' ' GLN . 55.0 t0 -89.66 0.74 56.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.242 179.538 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -78.61 29.31 0.19 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.318 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.429 ' H ' ' C ' ' A' ' 12' ' ' ASP . 93.3 mm-40 -51.51 -51.75 52.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.336 -179.033 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 83.4 p -82.01 -32.73 30.43 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 121.014 -0.274 . . . . 0.0 111.512 -179.358 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.0 tp -81.19 -3.86 53.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.362 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -73.76 -47.14 41.2 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.304 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.436 HG12 HG23 ' A' ' 22' ' ' VAL . 2.3 tt -99.15 5.05 9.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.345 -179.077 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 21' ' ' LEU . . . -66.35 -89.72 0.05 OUTLIER Glycine 0 CA--C 1.528 0.866 0 C-N-CA 120.866 -0.683 . . . . 0.0 111.466 -179.498 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.488 ' HA2' HD11 ' A' ' 23' ' ' ILE . . . -37.32 -29.82 0.04 OUTLIER Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.65 -0.58 . . . . 0.0 111.65 -179.628 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 19' ' ' GLY . 8.8 mp -70.77 -51.21 28.5 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -179.098 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.436 HG23 HG12 ' A' ' 18' ' ' ILE . 19.8 t -68.05 -50.83 55.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 120.471 -0.492 . . . . 0.0 112.227 -178.55 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.488 HD11 ' HA2' ' A' ' 20' ' ' GLY . 11.0 pt -59.18 -39.77 79.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 120.461 -0.495 . . . . 0.0 110.68 -179.62 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.91 -37.42 84.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.965 0.412 . . . . 0.0 110.148 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.93 -41.97 99.7 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 111.489 -0.645 . . . . 0.0 111.489 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.9 mm -64.23 -44.29 97.41 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.123 0 C-N-CA 120.388 -0.525 . . . . 0.0 111.027 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 30.4 tp -55.76 -47.56 76.8 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.904 -179.306 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -71.43 -44.85 64.09 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.226 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 42.5 mt -58.32 -43.43 86.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.1 tp -65.16 -34.6 78.77 Favored 'General case' 0 N--CA 1.437 -1.089 0 N-CA-C 104.901 -2.259 . . . . 0.0 104.901 176.181 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.463 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -57.39 -52.43 51.72 Favored Glycine 0 CA--C 1.534 1.254 0 CA-C-N 113.272 -1.785 . . . . 0.0 111.713 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 20.6 mm -68.68 -44.8 82.17 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 117.022 0.411 . . . . 0.0 111.019 -179.415 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.2 mt -59.1 -45.87 89.75 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 31.5 mt -60.5 -44.65 96.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.49 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 31' ' ' GLY . 40.8 t -57.07 -52.87 50.59 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.635 -178.604 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.2 mp -66.8 -33.46 75.67 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.234 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 64.0 m -60.95 -35.85 77.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.068 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -39.04 77.25 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.457 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -58.09 -30.98 66.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.847 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 35.3 m -57.93 -38.99 76.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.687 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -60.33 -38.71 84.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.605 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.501 ' SG ' ' NH1' ' A' ' 49' ' ' ARG . 4.5 m -78.92 -37.79 39.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.625 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 37.4 mttm -76.12 -27.25 57.02 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.554 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -65.55 -47.78 74.67 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.522 -178.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -158.52 101.84 1.7 Allowed 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.764 -0.375 . . . . 0.0 110.973 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -65.66 -31.2 72.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.401 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -61.63 -27.71 68.85 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.797 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -56.13 -42.18 76.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.598 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.501 ' NH1' ' SG ' ' A' ' 42' ' ' CYS . 9.0 mmt85 -70.8 -31.32 68.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.88 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 21.1 m -53.86 -38.29 64.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.522 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 127.77 65.0 0.13 Allowed Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -100.55 157.29 34.03 Favored Pre-proline 0 CA--C 1.531 0.229 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -40.17 -35.16 1.17 Allowed 'Trans proline' 0 N--CA 1.489 1.245 0 C-N-CA 122.301 2.001 . . . . 0.0 112.208 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.0 t70 47.15 25.62 0.55 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.478 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -68.48 -36.08 78.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.612 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -93.12 162.28 14.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.659 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -60.75 145.45 49.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.355 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 59' ' ' THR . . . -101.49 -131.4 7.37 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.75 HG22 ' H ' ' A' ' 60' ' ' PHE . 30.0 m -49.4 179.99 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.65 0.262 . . . . 0.0 110.388 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.75 ' H ' HG22 ' A' ' 59' ' ' THR . 67.4 t80 -69.31 -44.28 72.06 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 -65.61 -31.69 72.86 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.513 179.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.8 p -60.62 -33.65 73.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.406 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 16.1 m -65.66 -31.05 71.86 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.282 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.5 mm -63.85 -32.92 58.94 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.836 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.2 mmt85 -57.43 -29.82 64.48 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.504 ' O ' ' N ' ' A' ' 70' ' ' ARG . 3.3 mtp180 -55.1 -35.37 64.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.947 0.403 . . . . 0.0 110.243 179.617 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.713 ' O ' HD13 ' A' ' 67' ' ' LEU . 3.2 tm? -56.48 -25.68 51.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.719 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.4 t -66.87 -47.46 71.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.677 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 53.6 p -106.35 -39.47 5.9 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 66' ' ' ARG . 51.5 ttt180 -58.53 -45.73 88.27 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.866 -0.334 . . . . 0.0 111.212 -179.114 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.424 ' O ' ' O ' ' A' ' 67' ' ' LEU . 9.5 mtm180 -125.43 155.1 40.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.445 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 84.4 mtm-85 . . . . . 0 C--O 1.221 -0.417 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.473 -179.889 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.534 ' N ' ' CZ ' ' A' ' 9' ' ' PHE . 96.8 mt-10 . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.88 162.41 62.53 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.421 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -68.89 -23.93 34.42 Favored 'Trans proline' 0 C--N 1.308 -1.596 0 C-N-CA 122.417 2.078 . . . . 0.0 111.943 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.1 mttt -75.66 -5.43 45.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.693 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.411 ' HG3' ' H2 ' ' A' ' 1' ' ' GLU . 75.0 mm-40 -76.23 151.46 36.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.411 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.5 p80 -89.03 -170.2 2.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.658 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' A' ' 7' ' ' ASP . 0.0 OUTLIER -69.1 -58.45 6.27 Favored Pre-proline 0 CA--C 1.535 0.375 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -179.344 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.428 ' O ' ' O ' ' A' ' 11' ' ' TYR . 41.6 Cg_endo -67.18 34.75 0.14 Allowed 'Trans proline' 0 N--CA 1.497 1.679 0 C-N-CA 121.693 1.596 . . . . 0.0 112.359 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.534 ' CZ ' ' N ' ' A' ' 1' ' ' GLU . 90.7 t80 -68.14 -44.36 76.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.819 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 79.9 m -69.64 -41.01 76.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.071 -179.585 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.428 ' O ' ' O ' ' A' ' 8' ' ' PRO . 95.5 m-85 -112.84 131.92 55.5 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.975 -179.526 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -146.1 -39.64 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.411 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.411 ' O ' ' N ' ' A' ' 17' ' ' GLN . 24.4 m-85 -82.37 32.31 0.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.277 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -51.66 -52.26 49.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.019 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 82.5 p -81.84 -30.73 31.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.775 0.321 . . . . 0.0 111.179 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.5 mt -81.43 -3.4 52.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.114 -179.358 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 13' ' ' TYR . 10.4 mt-30 -74.87 -50.88 15.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.309 -179.533 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.659 HG22 HG23 ' A' ' 22' ' ' VAL . 10.7 mm -95.42 -6.52 10.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.749 0.309 . . . . 0.0 110.892 -179.409 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.468 ' O ' ' N ' ' A' ' 21' ' ' LEU . . . -48.74 -102.77 0.01 OUTLIER Glycine 0 CA--C 1.527 0.809 0 N-CA-C 111.741 -0.544 . . . . 0.0 111.741 -179.541 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -34.59 -30.9 0.01 OUTLIER Glycine 0 CA--C 1.527 0.815 0 N-CA-C 112.145 -0.382 . . . . 0.0 112.145 -179.33 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 19' ' ' GLY . 4.9 mp -62.69 -51.53 66.84 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.903 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.659 HG23 HG22 ' A' ' 18' ' ' ILE . 11.2 t -68.39 -50.28 58.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.88 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 80.1 mt -56.32 -46.27 81.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.908 0.385 . . . . 0.0 110.436 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.4 -37.35 70.02 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.972 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.44 -39.06 97.3 Favored Glycine 0 CA--C 1.529 0.915 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.74 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.0 mm -65.21 -44.7 95.18 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.177 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.504 -179.121 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 47.1 mt -60.43 -47.44 86.1 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 120.771 -0.372 . . . . 0.0 111.411 -179.138 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -70.26 -36.41 74.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.855 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 16.6 mt -66.4 -43.52 91.16 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.384 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.9 mt -64.63 -34.35 78.07 Favored 'General case' 0 N--CA 1.436 -1.169 0 N-CA-C 104.955 -2.239 . . . . 0.0 104.955 176.132 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.605 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -58.17 -51.88 55.82 Favored Glycine 0 CA--C 1.53 1.003 0 CA-C-N 113.577 -1.647 . . . . 0.0 111.23 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 90.8 mt -65.44 -45.09 93.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 O-C-N 122.719 -0.283 . . . . 0.0 111.482 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 97.5 mt -64.31 -45.85 86.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.994 0.426 . . . . 0.0 110.156 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 41.5 mt -60.15 -45.93 95.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.574 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 31' ' ' GLY . 54.6 t -56.42 -52.3 54.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.935 -179.149 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 78.6 mt -66.15 -33.98 77.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.844 0.354 . . . . 0.0 110.613 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.496 ' O ' ' SG ' ' A' ' 40' ' ' CYS . 59.4 m -61.42 -35.27 77.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.365 -179.628 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -56.64 -31.96 64.87 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.816 -179.067 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.7 mtp85 -67.27 -30.54 70.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.806 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.579 ' SG ' ' N ' ' A' ' 41' ' ' ARG . 1.8 p -58.78 -42.77 89.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.29 -179.232 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.579 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 18.3 ttp85 -58.18 -43.68 87.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.882 0.372 . . . . 0.0 110.636 -179.616 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.4 ' HA ' HD21 ' A' ' 45' ' ' ASN . 1.8 m -73.45 -39.02 65.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.739 -179.664 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -73.03 -26.09 61.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.176 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -64.93 -47.65 76.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.381 -179.197 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.464 ' OD1' ' CG ' ' A' ' 48' ' ' GLN . 9.6 p30 -87.84 122.87 32.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.827 0.346 . . . . 0.0 110.988 -179.573 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.517 ' NE2' ' O ' ' A' ' 51' ' ' GLY . 88.8 mt-30 -63.77 -24.71 67.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.645 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -53.81 -41.61 67.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.581 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.464 ' CG ' ' OD1' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -67.51 -43.12 81.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.666 179.824 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.408 ' CG ' ' H ' ' A' ' 50' ' ' THR . 0.5 OUTLIER -166.59 -100.1 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.783 179.859 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.408 ' H ' ' CG ' ' A' ' 49' ' ' ARG . 35.3 p -106.79 167.29 9.98 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.026 -179.574 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.517 ' O ' ' NE2' ' A' ' 46' ' ' GLN . . . 166.03 147.46 5.2 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.18 157.78 33.21 Favored Pre-proline 0 C--N 1.33 -0.248 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.441 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.419 ' O ' ' OD1' ' A' ' 54' ' ' ASP . 74.5 Cg_exo -38.54 155.23 0.03 OUTLIER 'Trans proline' 0 C--N 1.314 -1.253 0 C-N-CA 122.538 2.159 . . . . 0.0 112.251 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 53' ' ' PRO . 66.0 m-20 -148.93 164.71 33.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.493 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -79.46 -84.56 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.542 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -101.42 165.34 11.31 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.495 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -85.4 152.85 22.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.605 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 101.54 138.01 9.97 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.99 168.91 18.6 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -69.42 -44.23 71.8 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 18.3 mtm-85 -63.77 -31.71 72.97 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.803 178.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.8 t -60.65 -32.82 71.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.931 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.3 m -64.11 -28.03 69.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.64 -179.225 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.1 pp -63.24 -30.87 50.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.564 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -57.54 -32.54 67.19 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.992 -179.217 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.514 ' O ' ' N ' ' A' ' 70' ' ' ARG . 10.7 mpt_? -55.42 -34.59 64.56 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.46 -0.571 . . . . 0.0 109.46 179.248 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 42.1 mt -56.54 -21.92 29.66 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.553 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 32.3 t -69.02 -48.98 61.65 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.378 -0.529 . . . . 0.0 111.27 -179.288 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 13.5 p -107.57 -39.57 5.58 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.87 0.367 . . . . 0.0 111.546 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.514 ' N ' ' O ' ' A' ' 66' ' ' ARG . 28.6 ttp180 -65.69 -10.84 40.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.659 -178.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 63.7 ttt180 -136.11 145.56 46.02 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.803 0.335 . . . . 0.0 110.705 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 29.1 ptt180 . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.612 -179.843 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 . . . . . 0 N--CA 1.489 1.487 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.32 162.54 55.82 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.49 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -69.25 -16.52 39.76 Favored 'Trans proline' 0 C--N 1.309 -1.544 0 C-N-CA 122.536 2.157 . . . . 0.0 112.119 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.3 mmtm -74.89 -15.32 60.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.524 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -92.2 140.93 29.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.424 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -100.33 146.74 26.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.571 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.42 -51.78 4.2 Favored Pre-proline 0 CA--C 1.534 0.338 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.712 -179.763 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -77.1 -23.71 10.25 Favored 'Trans proline' 0 N--CA 1.49 1.29 0 C-N-CA 121.889 1.726 . . . . 0.0 112.725 -179.438 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -55.31 -36.03 65.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.843 0.354 . . . . 0.0 110.468 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 46.0 m -56.28 -33.75 65.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.756 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.42 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 25.5 t80 -105.59 131.96 52.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.657 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.42 ' OD1' ' O ' ' A' ' 11' ' ' TYR . 70.9 m-20 -154.72 17.7 0.45 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.409 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -79.62 29.35 0.25 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.407 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.416 ' H ' ' C ' ' A' ' 12' ' ' ASP . 93.5 mt-30 -52.06 -51.04 60.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.453 -179.243 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 82.6 p -84.1 -30.63 25.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.538 -179.274 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 tp -81.92 -5.47 58.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.705 0.288 . . . . 0.0 111.157 -179.324 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -70.32 -51.51 29.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.232 -179.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.497 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -94.56 -2.08 10.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.88 -179.537 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -53.12 -96.48 0.01 OUTLIER Glycine 0 CA--C 1.528 0.863 0 C-N-CA 121.14 -0.553 . . . . 0.0 111.884 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -39.27 -34.18 0.35 Allowed Glycine 0 CA--C 1.527 0.826 0 N-CA-C 111.917 -0.473 . . . . 0.0 111.917 -179.094 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.8 mp -58.9 -51.2 71.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.713 0.292 . . . . 0.0 111.555 -179.268 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 18' ' ' ILE . 87.2 t -68.51 -48.23 73.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.394 -179.098 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.5 mm -60.63 -46.03 96.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.717 0.294 . . . . 0.0 111.3 -179.408 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.53 -45.47 85.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.824 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.11 -37.57 91.85 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 91.2 mt -63.17 -42.73 97.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 121.075 -0.25 . . . . 0.0 111.351 -179.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 29.7 tp -61.51 -46.71 88.84 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.844 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -71.08 -36.56 72.28 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.01 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 25.3 mt -65.87 -44.13 92.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 179.446 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.4 tp -64.75 -34.25 77.9 Favored 'General case' 0 N--CA 1.435 -1.178 0 N-CA-C 104.892 -2.262 . . . . 0.0 104.892 176.126 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.453 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -59.72 -52.22 54.29 Favored Glycine 0 CA--C 1.53 1.029 0 CA-C-N 112.871 -1.968 . . . . 0.0 112.077 -179.683 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 84.9 mt -66.57 -44.24 90.16 Favored 'Isoleucine or valine' 0 C--O 1.232 0.152 0 CA-C-O 120.657 0.265 . . . . 0.0 110.841 -179.145 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.2 mt -62.19 -45.24 94.25 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.542 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 24.8 mt -60.61 -45.02 98.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.448 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 31' ' ' GLY . 42.3 t -56.73 -51.97 60.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.054 -178.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 73.3 mt -66.24 -32.14 73.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.877 0.37 . . . . 0.0 110.544 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 56.4 m -62.24 -35.59 79.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.223 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.6 mtt180 -57.27 -36.45 71.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.747 0.308 . . . . 0.0 110.713 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.0 tpt85 -60.87 -31.91 71.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.528 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 34.0 m -59.72 -38.91 82.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.972 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 90.2 mtt-85 -58.82 -46.7 87.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.939 0.399 . . . . 0.0 110.824 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -79.13 -30.81 43.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.582 -178.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -78.24 -28.26 47.81 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.989 -0.285 . . . . 0.0 111.61 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.511 ' CE2' ' OG1' ' A' ' 59' ' ' THR . 26.4 t80 -65.56 -46.12 80.71 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.437 -179.075 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -80.24 108.9 14.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.831 0.348 . . . . 0.0 110.852 -179.358 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.433 ' O ' ' O ' ' A' ' 49' ' ' ARG . 8.4 pt20 -66.15 -32.62 74.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.389 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -69.35 -36.21 76.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.499 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -61.41 -40.89 96.03 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.769 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.433 ' O ' ' O ' ' A' ' 46' ' ' GLN . 9.1 tpt180 -152.95 -127.45 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.446 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 60.3 p -79.77 152.1 29.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.732 0.301 . . . . 0.0 110.445 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -107.03 74.47 0.21 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.3 157.58 33.4 Favored Pre-proline 0 C--N 1.33 -0.268 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -39.0 140.15 0.44 Allowed 'Trans proline' 0 C--N 1.312 -1.385 0 C-N-CA 122.358 2.039 . . . . 0.0 112.153 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' A' ' 54' ' ' ASP . 51.8 p30 -106.41 155.23 19.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.778 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.416 ' O ' ' CB ' ' A' ' 56' ' ' GLU . 78.8 mm-40 -95.39 18.31 12.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.468 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.416 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 19.4 tt0 76.46 2.19 3.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.25 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -109.07 166.93 10.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.378 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.465 ' C ' ' N ' ' A' ' 60' ' ' PHE . . . 126.46 -97.16 0.49 Allowed Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.358 -1.097 . . . . 0.0 110.358 -179.687 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.511 ' OG1' ' CE2' ' A' ' 44' ' ' PHE . 0.2 OUTLIER -53.04 -11.08 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.378 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.465 ' N ' ' C ' ' A' ' 58' ' ' GLY . 90.7 t80 -68.7 -43.74 75.4 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.223 179.519 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 40.2 ttt180 -60.73 -32.77 72.03 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.912 -1.04 . . . . 0.0 109.268 178.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.7 p -61.75 -33.19 73.62 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.012 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.6 m -63.81 -29.55 70.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.949 0.404 . . . . 0.0 110.267 -179.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.424 HG23 HD12 ' A' ' 67' ' ' LEU . 59.7 mt -63.42 -33.11 59.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.385 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.07 -29.1 65.15 Favored 'General case' 0 C--O 1.232 0.144 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.535 ' O ' ' N ' ' A' ' 70' ' ' ARG . 6.2 tpt85 -55.11 -35.18 64.36 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.266 178.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.424 HD12 HG23 ' A' ' 64' ' ' ILE . 50.9 mt -62.53 -23.56 67.03 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.156 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 63.2 p -66.21 -48.67 69.86 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 121.084 -0.247 . . . . 0.0 111.663 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.453 HG23 ' N ' ' A' ' 70' ' ' ARG . 9.8 t -106.2 -38.36 6.28 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.163 0.506 . . . . 0.0 109.821 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.535 ' N ' ' O ' ' A' ' 66' ' ' ARG . 8.6 tpt180 51.04 -104.37 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.144 179.187 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 28.2 ttt180 -81.34 -74.18 0.34 Allowed 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.886 -0.325 . . . . 0.0 110.722 -179.424 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.586 -179.998 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m 57.73 56.39 7.15 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.661 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -68.62 -17.06 43.06 Favored 'Trans proline' 0 C--N 1.307 -1.65 0 C-N-CA 122.675 2.25 . . . . 0.0 112.144 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 16.4 mmtm -74.93 -5.29 43.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.538 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -94.91 163.13 13.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.633 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -97.54 158.08 15.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.424 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.57 -53.7 47.41 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.757 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -76.15 -11.4 19.45 Favored 'Trans proline' 0 N--CA 1.492 1.421 0 C-N-CA 121.914 1.743 . . . . 0.0 112.77 -179.295 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -52.53 -35.25 53.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.843 0.354 . . . . 0.0 110.633 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.1 m -54.59 -33.87 61.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.837 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -112.33 132.95 54.71 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.01 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.422 ' C ' ' H ' ' A' ' 14' ' ' GLN . 85.8 m-20 -130.33 4.22 4.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.138 179.535 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -79.19 29.3 0.22 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.376 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.422 ' H ' ' C ' ' A' ' 12' ' ' ASP . 94.8 mt-30 -51.4 -50.77 58.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.564 -179.095 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.6 t -83.56 -33.32 25.46 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.517 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 tp -79.92 -3.53 48.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.217 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -72.96 -48.76 33.85 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.355 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.644 HG22 HG23 ' A' ' 22' ' ' VAL . 14.7 mm -95.09 -15.4 7.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.254 -179.32 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.426 ' O ' ' N ' ' A' ' 21' ' ' LEU . . . -47.18 -91.7 0.01 OUTLIER Glycine 0 CA--C 1.528 0.888 0 C-N-CA 121.083 -0.579 . . . . 0.0 111.886 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -35.3 -32.52 0.03 OUTLIER Glycine 0 CA--C 1.528 0.886 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 -179.127 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 19' ' ' GLY . 8.6 mp -69.05 -51.0 43.46 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -179.235 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.644 HG23 HG22 ' A' ' 18' ' ' ILE . 18.4 t -65.73 -50.12 73.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -178.625 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.566 HG23 ' N ' ' A' ' 24' ' ' ALA . 15.7 tt -57.83 -45.33 87.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.636 -179.38 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.566 ' N ' HG23 ' A' ' 23' ' ' ILE . . . -57.42 -36.37 71.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.024 0.44 . . . . 0.0 109.949 179.585 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.57 -43.22 99.31 Favored Glycine 0 CA--C 1.527 0.837 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.606 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 11.8 mm -62.55 -42.97 97.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.191 -179.27 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 27.8 tp -60.35 -48.09 83.26 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 120.673 -0.411 . . . . 0.0 111.547 -178.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -71.72 -36.71 70.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.031 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 32.7 mt -65.71 -45.79 90.92 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.2 tp -64.48 -34.44 78.23 Favored 'General case' 0 N--CA 1.437 -1.104 0 N-CA-C 105.093 -2.188 . . . . 0.0 105.093 176.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.599 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -58.35 -51.87 56.09 Favored Glycine 0 CA--C 1.532 1.104 0 CA-C-N 113.233 -1.803 . . . . 0.0 111.536 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.9 mt -66.85 -44.87 88.71 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.158 0 CA-C-O 120.75 0.309 . . . . 0.0 111.127 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.7 mp -60.56 -46.3 90.7 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 26.1 mt -60.61 -44.83 97.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.464 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 31' ' ' GLY . 74.2 t -57.1 -51.56 67.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.636 -179.378 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.3 mt -66.26 -34.2 77.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.709 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.461 ' O ' ' SG ' ' A' ' 40' ' ' CYS . 51.1 m -61.95 -35.92 79.88 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.242 -179.646 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.4 mmt-85 -57.87 -35.79 71.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.736 0.303 . . . . 0.0 110.797 -179.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -61.84 -27.59 68.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.559 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.586 ' SG ' ' N ' ' A' ' 41' ' ' ARG . 1.0 OUTLIER -62.08 -43.95 97.73 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.036 -179.473 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.586 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 36.9 ttm180 -57.94 -45.04 87.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.785 0.326 . . . . 0.0 110.769 -179.576 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 12.1 m -73.73 -34.56 64.83 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.799 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.7 mttm -77.99 -29.12 49.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.758 -179.456 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -65.76 -47.11 76.33 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.604 -0.439 . . . . 0.0 111.044 -179.245 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -87.81 109.41 19.72 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.694 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.422 ' O ' ' O ' ' A' ' 49' ' ' ARG . 26.9 pt20 -68.41 -34.91 76.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.234 179.723 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -60.03 -36.0 76.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.376 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -63.23 -43.75 97.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.508 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.422 ' O ' ' O ' ' A' ' 46' ' ' GLN . 59.3 ttp180 -143.73 142.31 30.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.409 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.1 m -83.87 134.91 34.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.502 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -163.95 -167.44 24.45 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -73.31 157.22 88.4 Favored Pre-proline 0 CA--C 1.533 0.296 0 C-N-CA 121.022 -0.271 . . . . 0.0 110.292 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.422 ' O ' ' OD1' ' A' ' 54' ' ' ASP . 82.3 Cg_exo -38.82 141.35 0.35 Allowed 'Trans proline' 0 C--N 1.314 -1.255 0 C-N-CA 122.407 2.071 . . . . 0.0 112.094 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.422 ' OD1' ' O ' ' A' ' 53' ' ' PRO . 97.6 m-20 -138.7 163.63 31.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.574 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -68.89 169.4 11.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.295 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -44.59 145.46 0.88 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.336 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -51.56 139.93 19.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.074 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -129.51 139.75 11.2 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.4 p -148.55 54.72 1.01 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -69.9 -44.57 69.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.014 -178.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 -62.15 -32.79 73.43 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.275 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.15 -32.38 72.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.873 -179.581 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.8 t -63.16 -31.28 72.38 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.016 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.8 tt -63.72 -33.16 60.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.283 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.56 HH21 HH22 ' A' ' 41' ' ' ARG . 92.1 mtt-85 -58.04 -32.81 68.35 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.588 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.504 ' O ' ' N ' ' A' ' 70' ' ' ARG . 31.7 ttm180 -55.82 -35.72 66.66 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 178.672 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.6 tp -57.51 -22.41 43.95 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.984 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.3 m -68.99 -48.84 62.12 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -178.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 70' ' ' ARG . 3.5 m -105.19 -34.6 7.86 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 -179.688 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER 16.33 58.79 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.9 0 O-C-N 124.863 1.352 . . . . 0.0 113.224 179.827 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 -81.42 152.71 27.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.928 179.07 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 117.939 -1.029 . . . . 0.0 110.984 -179.627 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -137.36 162.56 54.45 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.408 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -69.41 -14.26 36.89 Favored 'Trans proline' 0 C--N 1.31 -1.484 0 C-N-CA 122.509 2.139 . . . . 0.0 112.135 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.8 mtmm -74.84 -5.15 41.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.659 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -97.69 151.87 19.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.528 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 79.3 m80 -124.83 140.37 52.99 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.557 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.413 ' OD2' ' OG1' ' A' ' 10' ' ' THR . 21.9 t0 42.54 56.14 10.59 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.723 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -69.08 -21.13 37.12 Favored 'Trans proline' 0 C--N 1.307 -1.656 0 C-N-CA 122.649 2.233 . . . . 0.0 112.108 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -58.16 -38.97 77.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.761 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.413 ' OG1' ' OD2' ' A' ' 7' ' ' ASP . 30.4 p -108.37 154.12 22.29 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.611 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -112.78 145.25 40.9 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.434 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -53.42 -34.68 58.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.882 0.372 . . . . 0.0 110.227 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -82.21 30.26 0.4 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.143 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -51.17 -52.02 48.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.358 -179.152 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 83.6 p -82.99 -30.75 27.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.766 0.317 . . . . 0.0 111.419 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 tp -82.13 -3.7 55.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.467 -179.298 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -74.95 -47.65 28.49 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.979 -0.289 . . . . 0.0 111.261 -179.552 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.778 HG22 HG23 ' A' ' 22' ' ' VAL . 12.8 mm -95.02 -16.97 7.22 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-O 120.705 0.288 . . . . 0.0 111.001 -179.342 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' A' ' 21' ' ' LEU . . . -44.69 -92.51 0.01 OUTLIER Glycine 0 CA--C 1.528 0.903 0 C-N-CA 121.123 -0.56 . . . . 0.0 111.71 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.482 ' HA2' HD11 ' A' ' 23' ' ' ILE . . . -35.45 -29.78 0.02 OUTLIER Glycine 0 CA--C 1.526 0.763 0 N-CA-C 112.101 -0.4 . . . . 0.0 112.101 -179.26 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 19' ' ' GLY . 6.5 mp -70.82 -48.64 53.0 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -179.249 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.778 HG23 HG22 ' A' ' 18' ' ' ILE . 47.7 t -68.33 -49.47 66.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -178.733 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.482 HD11 ' HA2' ' A' ' 20' ' ' GLY . 12.1 pt -64.2 -39.09 84.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 121.08 -0.248 . . . . 0.0 111.593 -179.095 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.63 -48.82 79.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.073 0.463 . . . . 0.0 110.695 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.84 -35.81 87.9 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 53.1 mt -62.71 -42.58 96.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.989 -0.284 . . . . 0.0 111.59 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.3 tp -63.49 -48.01 79.39 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 120.839 -0.344 . . . . 0.0 111.132 -179.175 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.529 ' N ' ' CD1' ' A' ' 28' ' ' PHE . 0.5 OUTLIER -69.46 -37.0 77.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.542 179.63 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 12.1 mt -61.69 -42.75 95.5 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.448 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 mt -64.42 -34.12 77.45 Favored 'General case' 0 N--CA 1.432 -1.356 0 N-CA-C 105.186 -2.153 . . . . 0.0 105.186 175.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.636 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -59.14 -52.2 54.73 Favored Glycine 0 CA--C 1.533 1.214 0 CA-C-N 113.434 -1.712 . . . . 0.0 112.023 -179.669 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 81.5 mt -64.17 -44.59 97.57 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 O-C-N 122.724 -0.28 . . . . 0.0 111.358 -179.049 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.3 mt -64.66 -45.92 84.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.137 0.494 . . . . 0.0 109.762 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 34.7 mt -60.46 -44.68 96.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.339 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 31' ' ' GLY . 54.7 t -56.49 -52.23 55.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.684 -179.17 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 83.1 mt -66.11 -31.55 72.47 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.712 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 48.7 m -60.53 -35.55 76.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.49 -179.137 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 16.6 mmm180 -57.49 -36.87 72.06 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 120.084 -0.646 . . . . 0.0 110.38 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 42.6 mtp180 -58.8 -32.77 69.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.538 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.428 ' O ' ' N ' ' A' ' 44' ' ' PHE . 4.0 t -58.7 -46.36 87.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.795 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.6 ttt180 -56.54 -45.16 81.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.716 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.8 m -76.32 -36.14 58.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.017 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 33.0 mttt -76.95 -24.59 52.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.687 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.526 ' CD2' ' OD1' ' A' ' 45' ' ' ASN . 71.6 t80 -65.77 -49.84 66.9 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.314 -0.554 . . . . 0.0 111.189 -178.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.526 ' OD1' ' CD2' ' A' ' 44' ' ' PHE . 17.2 p30 141.62 15.5 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.06 0 O-C-N 124.662 1.226 . . . . 0.0 109.596 179.369 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 35.2 tp60 -57.47 -39.35 76.18 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.68 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -60.16 -34.32 73.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.012 0.434 . . . . 0.0 110.112 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.445 ' O ' ' CB ' ' A' ' 49' ' ' ARG . 89.6 mt-30 -79.62 -20.64 46.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.782 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.445 ' CB ' ' O ' ' A' ' 48' ' ' GLN . 5.8 tpt180 79.65 160.54 0.18 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.499 -179.632 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 35.9 m -78.3 150.45 33.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.773 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 148.6 8.73 0.19 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.896 -0.881 . . . . 0.0 110.896 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.448 ' O ' ' O ' ' A' ' 53' ' ' PRO . 0.3 OUTLIER -107.39 158.39 33.28 Favored Pre-proline 0 CA--C 1.532 0.256 0 N-CA-C 110.431 -0.211 . . . . 0.0 110.431 -179.833 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.448 ' O ' ' O ' ' A' ' 52' ' ' GLU . 33.6 Cg_exo -45.9 -178.29 0.0 OUTLIER 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 122.563 2.175 . . . . 0.0 112.485 179.569 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.422 ' OD1' ' O ' ' A' ' 54' ' ' ASP . 45.6 p30 -37.7 142.45 0.14 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.996 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -135.16 176.6 8.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.059 -179.14 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -102.91 -161.55 0.85 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.698 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.405 ' O ' ' CD1' ' A' ' 44' ' ' PHE . 10.5 tt0 -73.72 163.12 28.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.667 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 152.61 -32.17 0.83 Allowed Glycine 0 CA--C 1.524 0.596 0 N-CA-C 109.93 -1.268 . . . . 0.0 109.93 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 25.4 p -104.57 22.41 15.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.931 0.396 . . . . 0.0 110.051 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -67.2 -43.05 83.09 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 179.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 5.3 ttt85 -61.0 -32.21 71.79 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.425 178.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.6 m -61.17 -33.33 73.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.361 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.0 p -64.17 -31.49 72.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.847 0.356 . . . . 0.0 110.271 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 76.3 mt -63.89 -33.59 62.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.214 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.49 -30.97 67.42 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.166 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.515 ' O ' ' N ' ' A' ' 70' ' ' ARG . 91.6 mtt-85 -56.73 -35.54 68.69 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 179.452 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.43 ' O ' ' O ' ' A' ' 71' ' ' ARG . 48.2 mt -58.17 -22.64 52.27 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.463 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 60.7 p -67.98 -48.47 65.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.446 -179.073 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -106.17 -37.97 6.42 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.24 -179.402 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.515 ' N ' ' O ' ' A' ' 66' ' ' ARG . 19.4 ttp85 -75.47 -0.26 19.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.361 -179.299 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -153.77 118.55 4.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.914 0.388 . . . . 0.0 110.732 -179.911 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 57.7 ttt85 . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.643 179.849 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 t 56.09 57.42 9.61 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.665 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -69.65 -23.38 31.36 Favored 'Trans proline' 0 C--N 1.307 -1.629 0 C-N-CA 122.614 2.21 . . . . 0.0 112.184 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 38.7 mmtt -74.92 -9.9 58.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.466 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -102.51 159.96 14.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.636 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -124.7 150.39 46.21 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.381 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -135.91 161.51 62.26 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.488 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -69.8 -24.62 29.31 Favored 'Trans proline' 0 N--CA 1.493 1.462 0 C-N-CA 122.396 2.064 . . . . 0.0 112.184 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -52.81 -29.05 25.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.649 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.473 HG22 ' CE2' ' A' ' 11' ' ' TYR . 15.7 m -52.74 -39.95 62.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.628 -179.773 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.473 ' CE2' HG22 ' A' ' 10' ' ' THR . 84.8 m-85 -137.4 132.33 33.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.93 0.395 . . . . 0.0 110.797 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 11' ' ' TYR . 67.2 m-20 -156.42 -8.17 0.1 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.381 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -79.57 30.38 0.24 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.626 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.406 ' H ' ' C ' ' A' ' 12' ' ' ASP . 85.7 mt-30 -51.26 -51.71 51.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.364 -179.341 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 85.4 p -80.63 -34.87 34.66 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.654 -179.482 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -80.25 -3.27 48.51 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.472 -179.262 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -72.86 -45.57 57.63 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.277 -179.552 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.63 HG22 HG23 ' A' ' 22' ' ' VAL . 13.7 mm -97.56 -19.12 6.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.269 -179.025 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.491 ' O ' ' N ' ' A' ' 21' ' ' LEU . . . -43.71 -93.91 0.01 OUTLIER Glycine 0 CA--C 1.529 0.925 0 C-N-CA 120.99 -0.624 . . . . 0.0 111.648 -179.399 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.497 ' HA2' HD11 ' A' ' 23' ' ' ILE . . . -32.89 -31.9 0.01 OUTLIER Glycine 0 CA--C 1.527 0.781 0 O-C-N 123.676 0.28 . . . . 0.0 112.438 -179.228 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 19' ' ' GLY . 8.5 mp -70.8 -50.82 31.56 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -179.285 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.63 HG23 HG22 ' A' ' 18' ' ' ILE . 16.4 t -67.02 -50.75 61.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 C-N-CA 120.495 -0.482 . . . . 0.0 112.046 -178.502 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.497 HD11 ' HA2' ' A' ' 20' ' ' GLY . 11.5 pt -59.2 -39.56 79.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.564 -0.455 . . . . 0.0 110.611 -179.622 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.43 -37.54 81.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.211 0.529 . . . . 0.0 109.931 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.74 -40.62 98.69 Favored Glycine 0 CA--C 1.524 0.609 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.665 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.6 mm -63.73 -41.64 93.26 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-N 117.125 0.463 . . . . 0.0 111.12 -179.299 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 27.8 tp -61.3 -48.59 80.68 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.491 -0.484 . . . . 0.0 111.208 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -71.88 -36.64 70.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.515 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.6 mt -67.62 -43.85 86.6 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.256 0 CA-C-O 121.282 0.563 . . . . 0.0 109.511 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.8 tp -65.02 -34.71 79.09 Favored 'General case' 0 N--CA 1.434 -1.247 0 N-CA-C 105.395 -2.076 . . . . 0.0 105.395 176.525 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.756 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -60.4 -52.42 52.75 Favored Glycine 0 CA--C 1.532 1.152 0 CA-C-N 113.206 -1.815 . . . . 0.0 111.777 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 87.4 mt -63.13 -44.76 99.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 O-C-N 122.627 -0.337 . . . . 0.0 110.892 -179.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.7 mt -62.76 -45.06 94.43 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 18.1 mt -60.6 -44.96 97.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.376 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.756 HG23 ' O ' ' A' ' 31' ' ' GLY . 86.4 t -56.77 -52.03 59.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.817 -179.19 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.6 mp -65.96 -33.16 75.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.859 0.361 . . . . 0.0 110.736 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 55.2 m -61.21 -36.12 79.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.373 -179.427 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.675 HH21 ' NH2' ' A' ' 61' ' ' ARG . 0.2 OUTLIER -57.76 -40.13 79.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.697 0.284 . . . . 0.0 110.9 -179.41 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 36.3 ttt180 -58.86 -31.18 68.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.055 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 5.1 t -58.42 -45.56 88.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.377 -179.32 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 59.5 ttp85 -56.33 -40.03 73.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.926 -179.409 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.43 -47.48 19.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.137 -179.447 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 36.6 mtpt -60.69 -35.21 75.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.646 -179.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -65.23 -47.88 75.26 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.1 0.408 . . . . 0.0 112.1 -178.446 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -71.45 110.2 5.9 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.901 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -60.14 -34.77 74.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.074 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -56.07 -45.42 79.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.223 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -70.56 -41.09 72.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.127 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 48.2 ttt-85 -157.04 114.83 3.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.175 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.0 m -103.9 138.15 40.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.74 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 143.19 -48.05 0.78 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.246 -0.741 . . . . 0.0 111.246 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -74.4 154.42 87.93 Favored Pre-proline 0 CA--C 1.535 0.369 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.753 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -43.59 162.14 0.06 OUTLIER 'Trans proline' 0 N--CA 1.491 1.369 0 C-N-CA 122.169 1.912 . . . . 0.0 112.351 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -66.06 -25.93 67.26 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.317 179.416 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 63.04 123.99 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.842 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -61.63 -41.59 97.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.035 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -102.58 151.44 22.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.339 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.48 ' C ' ' H ' ' A' ' 60' ' ' PHE . . . 173.14 -80.78 0.08 OUTLIER Glycine 0 CA--C 1.52 0.377 0 N-CA-C 110.439 -1.064 . . . . 0.0 110.439 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.26 8.71 0.93 Allowed 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 179.237 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.48 ' H ' ' C ' ' A' ' 58' ' ' GLY . 88.0 t80 -66.54 -42.5 87.08 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 179.072 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.675 ' NH2' HH21 ' A' ' 38' ' ' ARG . 8.2 ttt180 -59.14 -33.33 70.77 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.291 -0.868 . . . . 0.0 108.792 178.303 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.2 m -61.53 -34.13 75.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.192 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.7 p -66.11 -33.52 75.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.002 0.429 . . . . 0.0 109.922 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.7 mm -62.3 -32.15 53.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.238 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 23.6 mtp-105 -57.59 -30.02 64.95 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.286 -0.566 . . . . 0.0 109.841 179.448 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.541 ' O ' ' N ' ' A' ' 70' ' ' ARG . 0.6 OUTLIER -54.77 -35.0 63.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.136 -179.62 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.0 -21.66 59.34 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.024 179.38 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.2 m -69.64 -49.08 57.18 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 120.62 -0.432 . . . . 0.0 111.498 -178.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -107.27 -39.19 5.76 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.917 0.389 . . . . 0.0 111.099 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.541 ' N ' ' O ' ' A' ' 66' ' ' ARG . 4.9 tpt180 -77.95 39.65 0.3 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.456 -179.233 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 62.7 ttt-85 -138.89 -56.91 0.62 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.856 0.36 . . . . 0.0 110.13 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 117.944 -1.026 . . . . 0.0 110.476 179.97 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m 55.22 57.78 10.87 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.692 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -70.69 -13.54 32.41 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.683 2.255 . . . . 0.0 112.095 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 38.5 mmtm -74.9 -5.08 41.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.588 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -72.78 151.97 41.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.557 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -90.93 142.2 28.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.515 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 7' ' ' ASP . 0.0 OUTLIER -81.04 162.27 60.1 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.542 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -69.25 -17.95 39.66 Favored 'Trans proline' 0 C--N 1.31 -1.469 0 C-N-CA 122.574 2.183 . . . . 0.0 112.211 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -52.74 -34.44 52.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.754 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 29.3 m -54.59 -36.44 64.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.709 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -110.86 132.16 54.44 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.004 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 55.6 p30 -99.61 7.54 45.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.354 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -80.43 31.0 0.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.388 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.8 mm100 -51.48 -52.11 49.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.497 -179.211 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 84.2 p -83.99 -31.26 25.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.602 -179.314 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.5 tp -81.24 -3.16 51.52 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.639 -179.088 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -74.57 -50.11 19.23 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.464 -179.273 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.613 HG22 HG23 ' A' ' 22' ' ' VAL . 13.5 mm -90.31 -22.57 6.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.813 0.339 . . . . 0.0 111.393 -179.138 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.491 ' O ' ' N ' ' A' ' 21' ' ' LEU . . . -39.65 -95.24 0.01 OUTLIER Glycine 0 CA--C 1.528 0.874 0 N-CA-C 111.898 -0.481 . . . . 0.0 111.898 -179.51 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.497 ' HA2' HD11 ' A' ' 23' ' ' ILE . . . -32.12 -32.26 0.01 OUTLIER Glycine 0 CA--C 1.526 0.774 0 CA-C-N 115.691 -0.255 . . . . 0.0 112.745 -179.217 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 19' ' ' GLY . 20.3 mt -71.51 -51.05 25.7 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.679 -179.038 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.613 HG23 HG22 ' A' ' 18' ' ' ILE . 10.6 t -65.59 -50.94 68.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 C-N-CA 120.591 -0.444 . . . . 0.0 111.976 -178.615 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.497 HD11 ' HA2' ' A' ' 20' ' ' GLY . 10.8 pt -59.09 -42.21 85.84 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.75 -179.422 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.24 -35.12 73.11 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.248 0.547 . . . . 0.0 109.978 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.57 -39.36 93.87 Favored Glycine 0 CA--C 1.526 0.755 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.84 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.3 mm -64.4 -44.6 97.13 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-N 117.205 0.503 . . . . 0.0 111.409 -178.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.1 tp -61.63 -47.85 83.52 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.118 -178.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.518 ' CZ ' HD11 ' A' ' 32' ' ' ILE . 57.6 t80 -70.23 -37.57 75.02 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.895 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 16.5 mt -63.56 -42.38 95.94 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.513 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 179.056 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.4 mt -64.61 -33.48 76.02 Favored 'General case' 0 N--CA 1.432 -1.342 0 N-CA-C 104.878 -2.267 . . . . 0.0 104.878 175.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.628 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -56.61 -50.57 62.25 Favored Glycine 0 CA--C 1.531 1.071 0 CA-C-N 113.825 -1.534 . . . . 0.0 111.462 -179.704 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.518 HD11 ' CZ ' ' A' ' 28' ' ' PHE . 33.3 mm -69.47 -44.75 79.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-N 116.929 0.365 . . . . 0.0 111.406 -179.434 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.4 mt -62.65 -47.43 83.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.035 0.445 . . . . 0.0 110.432 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 58.9 mt -60.38 -44.56 96.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.354 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 31' ' ' GLY . 43.6 t -56.41 -52.42 52.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.778 -179.072 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 78.6 mt -66.55 -33.07 74.86 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.776 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 51.1 m -61.89 -37.36 84.29 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.586 -179.524 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.9 ptt-85 -57.53 -31.57 66.21 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.641 -0.423 . . . . 0.0 110.452 -179.373 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.3 ttp180 -66.01 -31.58 72.55 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.403 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 50.0 m -57.59 -49.61 75.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.023 -179.551 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 33.1 ttp180 -55.02 -37.98 67.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.783 0.325 . . . . 0.0 110.541 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.2 m -72.45 -40.23 67.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.089 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 38.1 mtmt -77.98 -22.7 49.0 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -179.376 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.491 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 2.0 m-85 -64.54 -50.36 67.63 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.355 -0.538 . . . . 0.0 111.907 -177.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 44' ' ' PHE . 6.8 m-20 158.75 14.19 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 120.981 0.42 . . . . 0.0 110.332 179.573 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.423 ' O ' ' O ' ' A' ' 49' ' ' ARG . 7.1 tm0? -57.27 -35.73 70.13 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.513 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -65.71 -29.23 69.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.929 0.395 . . . . 0.0 110.272 179.472 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -57.13 -38.24 73.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.782 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.495 ' NH1' ' OE2' ' A' ' 52' ' ' GLU . 3.6 ptm180 -158.05 157.89 33.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.76 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.09 160.24 15.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.373 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -55.84 137.66 45.92 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.495 ' OE2' ' NH1' ' A' ' 49' ' ' ARG . 0.7 OUTLIER -110.53 157.68 37.61 Favored Pre-proline 0 CA--C 1.533 0.312 0 N-CA-C 110.594 -0.15 . . . . 0.0 110.594 -179.885 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.433 ' O ' ' O ' ' A' ' 52' ' ' GLU . 52.9 Cg_exo -42.98 174.38 0.0 OUTLIER 'Trans proline' 0 N--CA 1.491 1.356 0 C-N-CA 122.418 2.079 . . . . 0.0 112.623 179.689 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 56.74 -172.05 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.899 179.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -52.72 143.2 16.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.847 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.9 tp10 -107.45 145.29 33.21 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.633 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -141.42 58.24 1.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.496 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' A' ' 59' ' ' THR . . . -85.72 -135.94 3.86 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.431 ' O ' ' O ' ' A' ' 58' ' ' GLY . 82.7 p -51.66 -171.93 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.896 0.379 . . . . 0.0 110.704 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.23 -43.85 73.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.203 0.525 . . . . 0.0 109.654 179.604 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 43.0 mtp85 -61.53 -32.27 72.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.741 178.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.68 -33.5 72.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.647 -179.536 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.9 t -64.28 -30.28 71.34 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.591 -0.444 . . . . 0.0 109.895 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 49.4 mt -62.65 -33.12 58.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.036 179.526 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 50.7 ttt180 -57.84 -29.62 65.12 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.29 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.545 ' O ' ' N ' ' A' ' 70' ' ' ARG . 33.1 ttp180 -54.94 -35.3 64.08 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.184 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.15 -22.44 62.88 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.71 179.74 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 18.9 m -65.21 -48.56 72.95 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.542 -179.347 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 20.8 p -106.15 -38.97 6.1 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.413 0.625 . . . . 0.0 109.65 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.545 ' N ' ' O ' ' A' ' 66' ' ' ARG . 53.0 ttt-85 69.48 -77.9 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.931 -1.031 . . . . 0.0 111.708 179.059 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 72.0 mtp85 -132.51 151.88 51.75 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.019 0.438 . . . . 0.0 110.927 -179.382 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 77.5 mtm180 . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.583 -179.908 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 m -133.8 58.51 32.78 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.683 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -71.27 -13.64 30.95 Favored 'Trans proline' 0 C--N 1.307 -1.626 0 C-N-CA 122.611 2.207 . . . . 0.0 112.073 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -75.02 -7.51 53.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.749 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -69.24 150.71 47.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.589 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -89.13 152.88 21.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.534 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -56.18 -50.77 85.57 Favored Pre-proline 0 CA--C 1.536 0.413 0 CA-C-N 116.14 -0.482 . . . . 0.0 112.107 -179.509 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -76.23 -9.68 19.1 Favored 'Trans proline' 0 N--CA 1.493 1.448 0 C-N-CA 121.855 1.703 . . . . 0.0 112.988 -179.181 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -56.52 -28.99 61.34 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.661 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 41.0 m -51.37 -35.29 38.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.205 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -116.08 134.33 55.06 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.946 -179.62 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -105.01 3.34 30.48 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.201 179.522 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.416 ' O ' ' N ' ' A' ' 17' ' ' GLN . 28.6 m-85 -82.32 29.79 0.42 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.493 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -51.76 -50.68 60.18 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.476 -179.342 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 83.9 p -83.61 -30.45 26.92 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.514 -179.399 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 tp -81.73 -9.25 59.69 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.292 -179.304 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 13' ' ' TYR . 9.8 mm-40 -68.86 -49.28 59.66 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.332 -179.624 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.681 HG22 HG23 ' A' ' 22' ' ' VAL . 13.9 mm -96.37 -8.73 9.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.906 0.384 . . . . 0.0 111.103 -179.246 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.06 -84.69 0.03 OUTLIER Glycine 0 CA--C 1.528 0.899 0 C-N-CA 121.171 -0.538 . . . . 0.0 111.912 -179.333 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.471 ' HA2' HD11 ' A' ' 23' ' ' ILE . . . -41.05 -32.3 0.57 Allowed Glycine 0 CA--C 1.527 0.823 0 N-CA-C 112.262 -0.335 . . . . 0.0 112.262 -178.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.3 mp -68.95 -51.19 42.28 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -178.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.681 HG23 HG22 ' A' ' 18' ' ' ILE . 85.6 t -63.0 -49.94 81.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -178.403 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.471 HD11 ' HA2' ' A' ' 20' ' ' GLY . 10.8 pt -60.23 -42.22 89.63 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 C-N-CA 120.601 -0.439 . . . . 0.0 111.198 -179.065 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.24 -34.94 72.82 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.501 -0.48 . . . . 0.0 109.813 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.62 -39.9 95.67 Favored Glycine 0 CA--C 1.528 0.873 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.779 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.408 HG22 HD12 ' A' ' 30' ' ' LEU . 14.7 mm -64.86 -44.38 96.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.277 -0.569 . . . . 0.0 111.509 -179.116 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.4 tp -61.09 -47.84 84.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.925 0.393 . . . . 0.0 111.237 -178.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.46 ' CZ ' HD11 ' A' ' 32' ' ' ILE . 54.9 t80 -70.96 -37.47 72.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.022 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 21.6 mt -63.53 -43.92 98.5 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.509 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 179.132 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.408 HD12 HG22 ' A' ' 26' ' ' ILE . 4.0 mt -64.14 -32.99 74.76 Favored 'General case' 0 N--CA 1.432 -1.347 0 N-CA-C 104.558 -2.386 . . . . 0.0 104.558 175.622 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.552 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -56.18 -50.86 59.46 Favored Glycine 0 CA--C 1.531 1.042 0 CA-C-N 113.476 -1.693 . . . . 0.0 111.153 -179.723 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.46 HD11 ' CZ ' ' A' ' 28' ' ' PHE . 28.9 mm -70.49 -44.75 76.8 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 116.949 0.374 . . . . 0.0 111.315 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.6 mp -60.95 -48.21 82.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.143 0.497 . . . . 0.0 110.779 -179.413 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 66.4 mt -60.55 -44.44 96.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.356 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 31' ' ' GLY . 40.4 t -56.62 -51.06 70.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.474 -179.453 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.6 tp -66.2 -32.42 73.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.466 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.494 ' O ' ' SG ' ' A' ' 40' ' ' CYS . 11.3 t -62.63 -35.9 81.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.477 -179.632 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 10.9 mmt180 -57.63 -35.87 71.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.198 -179.249 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.4 mmt85 -63.23 -30.79 71.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.783 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.577 ' SG ' ' N ' ' A' ' 41' ' ' ARG . 1.4 p -58.17 -40.53 81.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.311 -179.457 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.577 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 61.5 ttp85 -61.91 -45.68 92.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.3 -179.376 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.41 -32.74 54.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.402 -179.363 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.1 mmmt -75.22 -33.51 61.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.612 -179.391 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.5 ' CE2' ' OG1' ' A' ' 59' ' ' THR . 2.1 t80 -66.38 -46.99 74.79 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.608 -179.295 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -70.87 107.92 4.25 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.804 0.335 . . . . 0.0 110.678 -179.416 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -59.41 -34.96 73.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.703 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -59.38 -47.01 87.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.742 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -67.22 -42.78 83.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.485 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.0 ttt180 -160.52 137.4 9.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.437 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.7 m -99.63 136.89 38.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.56 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -142.97 -118.28 1.32 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -108.21 102.34 45.97 Favored Pre-proline 0 CA--C 1.54 0.594 0 CA-C-O 119.415 -0.326 . . . . 0.0 110.625 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -53.36 136.71 63.69 Favored 'Trans proline' 0 N--CA 1.494 1.558 0 C-N-CA 121.428 1.419 . . . . 0.0 111.896 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -171.67 -162.38 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.683 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -94.47 -159.96 0.74 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.484 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 57.84 72.19 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.875 0.369 . . . . 0.0 110.289 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -63.71 132.72 51.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.719 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.447 ' H ' ' HB2' ' A' ' 44' ' ' PHE . . . -74.69 -14.86 80.97 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 110.423 -1.071 . . . . 0.0 110.423 179.485 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.5 ' OG1' ' CE2' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -70.45 7.03 1.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.786 0.327 . . . . 0.0 110.268 179.794 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.425 ' H ' ' C ' ' A' ' 58' ' ' GLY . 39.7 t80 -68.44 -39.69 81.41 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 179.482 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -60.27 -32.64 71.36 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.859 179.054 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.3 p -61.2 -32.86 72.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.408 -179.121 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.9 m -63.87 -33.25 75.28 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.403 -178.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.442 ' H ' HG23 ' A' ' 64' ' ' ILE . 0.8 OUTLIER -64.3 -32.23 56.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 C-N-CA 120.598 -0.441 . . . . 0.0 111.055 179.892 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -57.69 -30.47 65.51 Favored 'General case' 0 CA--C 1.519 -0.245 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.535 ' O ' ' N ' ' A' ' 70' ' ' ARG . 91.9 mtt-85 -55.63 -34.04 64.57 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 178.039 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.3 tp -56.35 -22.6 32.02 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.813 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 24.3 t -69.33 -48.96 59.87 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.856 -179.093 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 68.8 p -106.14 -39.2 6.03 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.379 0.609 . . . . 0.0 109.883 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.535 ' N ' ' O ' ' A' ' 66' ' ' ARG . 27.5 ttm180 61.06 -85.31 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.839 178.758 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 69.9 mtm-85 -58.49 147.03 33.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.838 0.352 . . . . 0.0 110.787 -179.166 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 50.0 ttt85 . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.408 -179.733 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.521 ' N ' ' OE1' ' A' ' 5' ' ' GLU . 77.4 mm-40 . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.91 162.43 55.85 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.411 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -69.65 -19.36 36.75 Favored 'Trans proline' 0 C--N 1.309 -1.506 0 C-N-CA 122.562 2.175 . . . . 0.0 112.142 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -74.94 -5.0 41.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.628 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.521 ' OE1' ' N ' ' A' ' 1' ' ' GLU . 95.1 mt-10 -89.16 150.13 22.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.676 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -104.48 151.07 24.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.541 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.23 162.22 73.92 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.398 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -69.28 -26.71 29.57 Favored 'Trans proline' 0 N--CA 1.493 1.487 0 C-N-CA 122.475 2.117 . . . . 0.0 112.238 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -54.68 -42.05 70.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.625 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 51.0 p -72.56 -11.4 60.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.695 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -109.27 133.38 53.11 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.101 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.441 ' C ' ' H ' ' A' ' 14' ' ' GLN . 58.6 t0 -142.23 -3.9 1.05 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.958 179.643 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -76.74 32.45 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.555 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.441 ' H ' ' C ' ' A' ' 12' ' ' ASP . 84.7 mt-30 -51.4 -49.97 60.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.553 -179.045 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 83.5 p -84.12 -31.28 25.32 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -179.071 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 tp -79.02 -3.15 43.71 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -178.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.83 -52.22 13.77 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.436 -179.343 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.706 HG22 HG23 ' A' ' 22' ' ' VAL . 8.0 mm -89.85 -16.39 8.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.858 0.361 . . . . 0.0 111.107 -178.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.495 ' O ' ' N ' ' A' ' 21' ' ' LEU . . . -44.67 -94.9 0.01 OUTLIER Glycine 0 CA--C 1.527 0.807 0 N-CA-C 111.645 -0.582 . . . . 0.0 111.645 -179.615 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.51 ' HA2' HD11 ' A' ' 23' ' ' ILE . . . -34.93 -29.19 0.01 OUTLIER Glycine 0 CA--C 1.525 0.715 0 N-CA-C 112.321 -0.312 . . . . 0.0 112.321 -179.323 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 19' ' ' GLY . 8.5 mp -72.15 -48.65 41.88 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -179.112 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.706 HG23 HG22 ' A' ' 18' ' ' ILE . 13.3 t -68.36 -50.12 60.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.948 -178.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.51 HD11 ' HA2' ' A' ' 20' ' ' GLY . 13.0 pt -61.82 -38.78 81.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.949 -179.285 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.89 -42.46 99.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.938 0.399 . . . . 0.0 110.919 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.09 -37.64 94.86 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.556 -0.617 . . . . 0.0 111.556 -179.594 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.86 -43.54 97.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 C-N-CA 120.889 -0.324 . . . . 0.0 111.341 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 36.6 tp -61.87 -47.25 85.84 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.638 -179.46 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.408 ' O ' ' N ' ' A' ' 31' ' ' GLY . 6.5 m-85 -67.23 -43.76 81.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.474 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 30.1 mt -58.84 -41.1 81.8 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.381 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 179.55 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.2 mt -65.02 -34.22 77.91 Favored 'General case' 0 N--CA 1.433 -1.29 0 N-CA-C 104.87 -2.271 . . . . 0.0 104.87 175.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.723 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -58.15 -52.33 53.14 Favored Glycine 0 CA--C 1.534 1.227 0 CA-C-N 113.355 -1.748 . . . . 0.0 112.003 -179.576 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.9 mm -66.72 -44.63 89.38 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 O-C-N 122.562 -0.376 . . . . 0.0 111.07 -179.194 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.8 mt -63.13 -46.57 86.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.927 0.394 . . . . 0.0 110.057 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.7 mt -60.59 -46.15 96.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.375 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 31' ' ' GLY . 77.8 t -56.78 -52.24 57.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 C-N-CA 120.776 -0.369 . . . . 0.0 110.871 -179.289 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.6 mp -66.05 -34.85 79.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.603 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 65.1 m -61.02 -35.87 78.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.844 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.5 mmt-85 -57.42 -41.81 81.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.456 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.7 ttt85 -57.19 -28.43 62.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.054 179.605 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.7 t -61.0 -46.2 91.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.896 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 69.2 mtp180 -54.83 -40.03 69.16 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.82 0.343 . . . . 0.0 110.855 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.29 -38.97 55.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.885 -179.685 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 50.8 mmtt -73.37 -27.81 61.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.994 -179.543 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -64.99 -48.12 75.11 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.82 -178.555 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -130.12 108.51 10.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.647 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -64.05 -34.77 78.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.191 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.417 ' OE1' ' OE2' ' A' ' 57' ' ' GLU . 92.8 mt-30 -56.89 -22.76 39.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.469 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 61.2 tp60 -55.74 -38.11 69.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.551 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 76.3 ttt-85 -112.45 77.43 1.04 Allowed 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.553 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.1 p -139.24 9.16 2.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.579 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.74 22.86 41.16 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -107.78 101.79 42.09 Favored Pre-proline 0 CA--C 1.541 0.624 0 CA-C-O 119.531 -0.271 . . . . 0.0 110.352 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -55.92 -22.32 37.59 Favored 'Trans proline' 0 N--CA 1.495 1.582 0 C-N-CA 121.532 1.488 . . . . 0.0 112.147 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -78.45 129.43 34.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.703 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.558 ' CD ' ' H ' ' A' ' 55' ' ' GLU . 2.0 pm0 -86.14 121.8 29.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.421 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -112.52 -178.0 3.29 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.582 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.417 ' OE2' ' OE1' ' A' ' 47' ' ' GLN . 19.0 mp0 49.08 -116.32 0.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.768 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 139.74 123.35 2.04 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.1 p -89.11 177.22 6.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.608 0.242 . . . . 0.0 110.577 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -69.72 -44.54 70.11 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 179.407 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 48.4 ttt85 -64.95 -32.73 74.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.058 -0.974 . . . . 0.0 109.416 178.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 45.6 m -61.93 -33.18 73.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.121 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 79.3 p -64.05 -28.02 69.51 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.118 0.485 . . . . 0.0 110.78 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.5 mm -62.65 -32.54 55.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.689 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -57.31 -28.65 63.25 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.346 -179.645 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.551 ' O ' ' N ' ' A' ' 70' ' ' ARG . 3.8 mtp-105 -54.69 -34.71 62.73 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.095 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 59.0 mt -59.45 -22.76 61.97 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.48 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.7 t -65.93 -48.45 71.36 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 111.614 0.227 . . . . 0.0 111.614 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.433 HG23 ' N ' ' A' ' 70' ' ' ARG . 15.0 t -105.3 -37.54 6.83 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.416 0.627 . . . . 0.0 109.514 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.551 ' N ' ' O ' ' A' ' 66' ' ' ARG . 5.5 ttp180 61.38 -168.44 0.18 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.92 -1.037 . . . . 0.0 111.93 178.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 45.7 ttt-85 -119.61 153.66 35.14 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.492 -179.516 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 60.0 ttt-85 . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.478 179.939 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -179.51 -52.78 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.393 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -78.89 -18.71 11.43 Favored 'Trans proline' 0 N--CA 1.49 1.295 0 C-N-CA 122.005 1.804 . . . . 0.0 112.212 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.9 mmtm -74.85 -4.97 41.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.554 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -69.7 151.69 45.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.661 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 50.1 p-80 -82.36 -11.54 58.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.606 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -132.17 62.74 65.28 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.575 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -73.46 -11.97 24.74 Favored 'Trans proline' 0 C--N 1.308 -1.569 0 C-N-CA 122.613 2.209 . . . . 0.0 112.176 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -53.88 -36.0 62.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.504 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.1 t -135.15 152.2 51.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.679 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.416 ' C ' ' N ' ' A' ' 13' ' ' TYR . 57.4 m-85 -115.35 136.99 52.52 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.376 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.472 ' C ' ' H ' ' A' ' 14' ' ' GLN . 88.1 m-20 -48.25 -18.88 0.24 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.961 0.41 . . . . 0.0 110.534 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.416 ' N ' ' C ' ' A' ' 11' ' ' TYR . 26.2 m-85 -76.74 30.67 0.13 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.264 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.472 ' H ' ' C ' ' A' ' 12' ' ' ASP . 69.7 mt-30 -51.54 -51.97 50.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.491 -179.014 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 79.9 p -82.41 -34.99 28.06 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -178.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.0 tp -77.41 -9.08 58.66 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.972 -0.291 . . . . 0.0 111.518 -178.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -67.59 -51.17 53.51 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.974 -0.291 . . . . 0.0 111.421 -179.287 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.706 HG22 HG23 ' A' ' 22' ' ' VAL . 15.3 mm -94.68 -10.37 9.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.87 0.367 . . . . 0.0 111.009 -179.061 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -51.22 -81.36 0.05 OUTLIER Glycine 0 CA--C 1.529 0.926 0 N-CA-C 111.832 -0.507 . . . . 0.0 111.832 -179.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.421 ' HA2' HD11 ' A' ' 23' ' ' ILE . . . -44.41 -29.65 1.82 Allowed Glycine 0 CA--C 1.528 0.851 0 C-N-CA 121.761 -0.257 . . . . 0.0 112.521 -178.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.8 mp -71.77 -47.33 54.29 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -178.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.706 HG23 HG22 ' A' ' 18' ' ' ILE . 42.1 t -66.19 -49.2 77.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -178.51 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.421 HD11 ' HA2' ' A' ' 20' ' ' GLY . 6.1 pt -64.43 -43.95 97.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.525 -179.024 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.22 -45.58 87.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.931 0.396 . . . . 0.0 110.507 -179.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.59 -40.68 96.69 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 80.1 mt -60.23 -42.31 89.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 111.56 0.207 . . . . 0.0 111.56 -179.578 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 31.7 tp -61.64 -47.21 86.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.784 0.325 . . . . 0.0 110.729 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -70.98 -36.54 72.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.167 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 7.4 mm -66.88 -43.67 89.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.8 tp -65.18 -34.72 79.06 Favored 'General case' 0 N--CA 1.436 -1.165 0 N-CA-C 105.093 -2.188 . . . . 0.0 105.093 176.071 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.54 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -58.93 -51.82 56.96 Favored Glycine 0 CA--C 1.529 0.924 0 CA-C-N 112.608 -2.087 . . . . 0.0 112.06 -179.561 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 72.3 mt -68.19 -45.21 83.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 C-N-CA 121.046 -0.262 . . . . 0.0 110.914 -179.341 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 33' ' ' LEU . 92.3 mt -58.42 -46.43 86.5 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.379 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 29.5 mt -60.41 -42.79 92.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.405 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 31' ' ' GLY . 42.3 t -57.14 -52.62 53.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.493 -178.69 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.4 mp -66.59 -33.81 76.49 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.164 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.493 ' O ' ' SG ' ' A' ' 40' ' ' CYS . 44.4 m -60.63 -35.71 76.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.133 -179.762 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.9 mmt85 -57.54 -33.82 68.51 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.754 -179.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -65.61 -30.49 71.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.677 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.574 ' SG ' ' N ' ' A' ' 41' ' ' ARG . 1.3 p -57.9 -40.92 81.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 -179.659 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.574 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 10.6 ttm-85 -62.1 -43.87 97.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.802 0.334 . . . . 0.0 110.795 -179.704 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.2 m -78.28 -32.58 49.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 -179.442 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.446 ' HZ3' ' CD ' ' A' ' 52' ' ' GLU . 24.0 mmtt -77.34 -30.21 53.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.379 -179.68 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.479 ' CZ ' ' OG1' ' A' ' 59' ' ' THR . 16.1 t80 -66.03 -47.54 74.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.537 -179.279 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 45.1 t-20 -84.12 107.0 16.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.852 0.358 . . . . 0.0 110.592 -179.562 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 50' ' ' THR . 4.8 pt20 -73.38 -24.87 60.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.376 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -56.21 -37.08 69.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.811 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -64.45 -45.63 86.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.906 -179.553 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.411 ' O ' ' O ' ' A' ' 50' ' ' THR . 19.6 ptt85 -172.06 63.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.69 -0.404 . . . . 0.0 111.136 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 46' ' ' GLN . 0.2 OUTLIER 56.96 156.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.902 179.576 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -131.11 137.83 9.74 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.64 -0.984 . . . . 0.0 110.64 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.446 ' CD ' ' HZ3' ' A' ' 43' ' ' LYS . 0.5 OUTLIER -110.63 157.66 37.75 Favored Pre-proline 0 CA--C 1.534 0.354 0 N-CA-C 110.564 -0.161 . . . . 0.0 110.564 -179.707 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.431 ' O ' ' O ' ' A' ' 52' ' ' GLU . 37.0 Cg_exo -44.35 175.7 0.01 OUTLIER 'Trans proline' 0 N--CA 1.491 1.358 0 C-N-CA 122.263 1.976 . . . . 0.0 112.223 179.561 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 66.18 84.38 0.16 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.783 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -146.88 77.61 1.47 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.19 0.519 . . . . 0.0 110.27 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -68.2 -46.78 69.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.885 -179.566 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -115.51 159.41 21.24 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.715 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.444 ' C ' ' H ' ' A' ' 60' ' ' PHE . . . -163.88 -112.0 0.26 Allowed Glycine 0 CA--C 1.522 0.498 0 N-CA-C 110.624 -0.99 . . . . 0.0 110.624 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.479 ' OG1' ' CZ ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -69.73 6.82 1.03 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.847 0.356 . . . . 0.0 110.295 179.716 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.444 ' H ' ' C ' ' A' ' 58' ' ' GLY . 25.7 m-85 -69.51 -44.44 71.05 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 179.032 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -59.5 -32.77 70.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.721 -1.127 . . . . 0.0 109.336 179.038 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.8 m -64.58 -33.35 75.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.642 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 65.2 p -63.9 -32.88 74.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.016 0.436 . . . . 0.0 109.91 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.5 mm -63.5 -32.72 57.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 179.029 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 48.5 ttt-85 -58.22 -31.28 67.22 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.73 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.406 ' O ' ' N ' ' A' ' 70' ' ' ARG . 5.1 tpt180 -55.75 -34.3 65.07 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.794 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.8 tp -55.23 -23.35 22.03 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.268 -179.458 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.1 t -72.14 -48.46 43.44 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -179.315 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 54.4 p -102.92 -20.52 14.22 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.516 0.198 . . . . 0.0 111.443 -179.057 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.406 ' N ' ' O ' ' A' ' 66' ' ' ARG . 29.9 ttt180 -34.29 -60.85 0.4 Allowed 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.091 -179.484 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 43.3 ptt85 -139.73 168.22 20.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.02 0.438 . . . . 0.0 111.308 -179.074 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 32.6 ptt180 . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.49 179.621 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -49.78 -50.87 64.91 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.556 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -80.48 -14.13 11.81 Favored 'Trans proline' 0 C--N 1.313 -1.289 0 C-N-CA 122.038 1.825 . . . . 0.0 112.358 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -75.11 -12.02 60.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.476 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -103.35 151.89 22.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.583 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 75.0 m80 -127.56 145.51 50.83 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.568 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -104.86 158.7 31.45 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.345 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -70.92 -31.04 16.01 Favored 'Trans proline' 0 N--CA 1.493 1.448 0 C-N-CA 122.318 2.012 . . . . 0.0 112.181 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -56.49 -32.43 65.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.735 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 41.6 m -57.14 -35.87 70.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.753 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -115.7 136.01 53.48 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.444 ' C ' ' H ' ' A' ' 14' ' ' GLN . 85.0 m-20 -92.22 -1.33 57.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.196 179.637 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -77.89 30.39 0.17 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.267 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.444 ' H ' ' C ' ' A' ' 12' ' ' ASP . 24.5 mm100 -54.05 -46.35 71.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.551 -179.149 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.3 m -84.43 -35.89 22.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.412 -179.299 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.9 tp -76.66 -15.77 59.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.521 -179.08 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -60.99 -46.03 92.4 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.292 -179.396 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.458 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.4 OUTLIER -105.28 7.89 9.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.101 -179.586 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.47 -64.15 3.08 Favored Glycine 0 CA--C 1.527 0.8 0 C-N-CA 120.73 -0.748 . . . . 0.0 111.286 -179.603 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.91 -35.44 86.91 Favored Glycine 0 CA--C 1.53 0.974 0 C-N-CA 121.231 -0.509 . . . . 0.0 112.478 -178.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.425 HD12 ' N ' ' A' ' 21' ' ' LEU . 10.3 mp -64.99 -47.68 76.67 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 -178.456 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 18' ' ' ILE . 94.7 t -66.5 -44.56 90.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -178.271 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.0 pt -69.65 -46.59 74.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 C-N-CA 120.463 -0.495 . . . . 0.0 112.131 -178.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.87 -41.63 82.85 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.084 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.67 -41.99 99.68 Favored Glycine 0 CA--C 1.526 0.781 0 N-CA-C 111.395 -0.682 . . . . 0.0 111.395 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.3 tt -62.33 -36.33 74.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.563 -178.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 34.7 tp -64.94 -47.26 78.3 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.434 -0.507 . . . . 0.0 110.176 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -67.96 -36.41 80.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.337 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.6 tt -66.15 -40.72 87.82 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.416 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.1 mt -64.84 -33.97 77.25 Favored 'General case' 0 N--CA 1.431 -1.376 0 N-CA-C 104.382 -2.451 . . . . 0.0 104.382 174.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.472 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -57.76 -50.42 65.74 Favored Glycine 0 CA--C 1.528 0.844 0 CA-C-N 113.565 -1.652 . . . . 0.0 111.652 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 74.1 mt -70.48 -44.42 77.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.643 0.259 . . . . 0.0 111.423 -179.349 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.49 -46.23 87.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.899 0.38 . . . . 0.0 110.404 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 54.8 mt -60.57 -43.75 95.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.482 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 31' ' ' GLY . 31.1 t -56.95 -51.06 73.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.896 -179.28 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.0 mt -66.5 -32.82 74.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.924 0.392 . . . . 0.0 110.605 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 50.3 m -62.47 -35.15 78.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.21 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.06 -35.75 69.71 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.481 -179.438 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.2 mtm180 -65.17 -28.38 69.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.672 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.58 ' SG ' ' N ' ' A' ' 41' ' ' ARG . 0.5 OUTLIER -61.64 -40.85 96.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.263 -179.5 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.58 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 75.1 ttt180 -63.51 -48.6 76.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.77 0.319 . . . . 0.0 111.022 -179.698 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.3 m -72.28 -34.38 68.14 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.936 -179.374 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -78.29 -26.71 47.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.623 -179.663 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.526 ' CE2' ' OG1' ' A' ' 59' ' ' THR . 2.7 t80 -68.12 -27.25 66.29 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.963 -0.295 . . . . 0.0 111.418 -178.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -94.0 113.22 25.16 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.593 -179.556 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -58.24 -37.13 74.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.187 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -62.64 -39.64 94.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.532 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.69 -46.29 63.43 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.639 179.758 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 80.1 ttt-85 -155.71 152.1 28.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.551 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.8 m -82.81 137.18 34.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.521 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.21 -148.62 6.0 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -106.13 102.29 39.05 Favored Pre-proline 0 CA--C 1.542 0.635 0 CA-C-O 119.359 -0.353 . . . . 0.0 110.41 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -54.54 -11.68 3.46 Favored 'Trans proline' 0 N--CA 1.497 1.73 0 C-N-CA 121.593 1.529 . . . . 0.0 112.128 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -48.78 -32.21 8.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.502 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -71.31 100.81 2.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.625 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -66.92 -27.42 67.47 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.242 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -58.01 148.37 26.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.448 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.479 ' C ' ' H ' ' A' ' 60' ' ' PHE . . . 135.89 -88.62 0.23 Allowed Glycine 0 CA--C 1.521 0.465 0 N-CA-C 110.195 -1.162 . . . . 0.0 110.195 -179.675 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.526 ' OG1' ' CE2' ' A' ' 44' ' ' PHE . 99.0 m -56.71 -7.52 0.45 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 179.07 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.479 ' H ' ' C ' ' A' ' 58' ' ' GLY . 86.2 t80 -66.7 -42.9 85.66 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.687 179.601 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 5.1 ttt85 -59.26 -33.32 70.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.752 179.062 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.1 p -61.88 -33.89 75.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.621 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.4 m -65.52 -31.07 71.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.023 0.44 . . . . 0.0 110.125 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.5 mm -72.15 -33.01 45.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.073 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -57.85 -30.5 65.84 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.834 -179.338 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.543 ' O ' ' N ' ' A' ' 70' ' ' ARG . 1.1 mpt_? -55.13 -33.15 62.63 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 178.801 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.25 -22.8 12.65 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.625 -179.445 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.6 t -66.13 -48.84 69.5 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 120.645 -0.422 . . . . 0.0 111.43 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.1 p -106.57 -39.38 5.87 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.728 0.299 . . . . 0.0 110.612 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.543 ' N ' ' O ' ' A' ' 66' ' ' ARG . 16.7 ptt180 30.9 48.32 0.06 Allowed 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.226 179.585 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 42.3 mtm180 -144.29 -70.82 0.29 Allowed 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.836 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 56.4 ttt180 . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 118.087 -0.959 . . . . 0.0 110.595 -179.815 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.87 162.31 72.66 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.417 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -69.19 -25.74 30.94 Favored 'Trans proline' 0 C--N 1.31 -1.46 0 C-N-CA 122.545 2.163 . . . . 0.0 112.1 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 41.3 mttp -75.19 -7.11 52.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.704 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -81.1 147.41 30.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.532 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -103.68 156.5 17.75 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.623 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.511 ' N ' ' OD1' ' A' ' 7' ' ' ASP . 0.0 OUTLIER -59.91 -50.68 85.34 Favored Pre-proline 0 CA--C 1.535 0.376 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.913 -179.871 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -76.06 -11.32 19.61 Favored 'Trans proline' 0 N--CA 1.491 1.369 0 C-N-CA 121.799 1.666 . . . . 0.0 112.934 -179.25 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -55.82 -31.18 62.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.888 0.375 . . . . 0.0 110.475 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 42.7 m -50.16 -34.62 23.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.87 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -111.98 134.17 53.71 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.4 ' C ' ' H ' ' A' ' 14' ' ' GLN . 53.3 t0 -135.1 1.43 2.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.197 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.419 ' O ' ' N ' ' A' ' 17' ' ' GLN . 22.9 m-85 -80.88 28.74 0.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.248 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.4 ' H ' ' C ' ' A' ' 12' ' ' ASP . 89.1 mm-40 -51.48 -50.75 59.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.418 -179.149 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 82.5 p -83.28 -32.23 26.49 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.996 -0.282 . . . . 0.0 111.325 -179.336 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.0 tp -80.74 -6.83 59.0 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.184 -179.453 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 13' ' ' TYR . 6.4 mm-40 -68.95 -50.52 48.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.52 -179.491 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.644 HG22 HG23 ' A' ' 22' ' ' VAL . 2.3 mt -96.83 -5.52 9.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.587 -0.278 . . . . 0.0 111.597 -178.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.7 -81.68 0.06 OUTLIER Glycine 0 CA--C 1.528 0.894 0 N-CA-C 111.747 -0.541 . . . . 0.0 111.747 -179.358 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.473 ' HA2' HD11 ' A' ' 23' ' ' ILE . . . -44.38 -32.35 2.67 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 112.191 -0.364 . . . . 0.0 112.191 -178.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 21.4 mt -69.26 -46.32 67.57 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -178.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.644 HG23 HG22 ' A' ' 18' ' ' ILE . 54.7 t -68.34 -49.23 68.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -178.413 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.473 HD11 ' HA2' ' A' ' 20' ' ' GLY . 6.2 pt -63.99 -41.34 92.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 C-N-CA 120.803 -0.359 . . . . 0.0 111.424 -179.006 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.46 -43.82 96.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.865 0.364 . . . . 0.0 110.713 -179.652 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.68 -37.48 94.31 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 82.9 mt -62.01 -43.09 97.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 121.036 -0.266 . . . . 0.0 111.28 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 tt -61.19 -47.22 87.13 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.006 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -70.36 -38.85 74.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.03 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 18.6 mt -59.69 -45.43 94.42 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.493 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.2 mt -64.08 -33.22 75.26 Favored 'General case' 0 N--CA 1.431 -1.389 0 N-CA-C 104.377 -2.453 . . . . 0.0 104.377 175.277 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.763 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -55.91 -52.31 49.66 Favored Glycine 0 CA--C 1.534 1.261 0 CA-C-N 113.841 -1.527 . . . . 0.0 111.8 -179.555 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 12.6 mm -70.49 -44.97 76.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 117.265 0.532 . . . . 0.0 111.54 -179.362 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 97.0 mt -60.14 -47.08 87.41 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.924 0.393 . . . . 0.0 110.118 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 58.0 mt -60.54 -46.43 95.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.591 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 31' ' ' GLY . 96.5 t -56.8 -52.07 59.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 120.697 -0.401 . . . . 0.0 111.004 -179.228 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.9 mp -65.4 -33.36 75.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.808 0.337 . . . . 0.0 110.471 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 68.8 m -61.6 -36.06 79.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.333 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.436 ' NH1' ' NH2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -57.92 -34.24 69.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.956 -179.468 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 75.5 mtp85 -63.35 -29.92 71.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.782 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 60.5 m -59.18 -45.26 91.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.212 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.436 ' NH2' ' NH1' ' A' ' 38' ' ' ARG . 40.5 ttp180 -58.17 -42.64 86.46 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.878 0.371 . . . . 0.0 110.834 -179.7 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.6 m -75.87 -34.67 60.03 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.685 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -77.94 -28.81 49.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.598 -179.576 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.413 ' CD1' ' C ' ' A' ' 44' ' ' PHE . 24.8 t80 -65.77 -47.46 75.12 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.619 -178.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.504 ' ND2' ' OE1' ' A' ' 47' ' ' GLN . 5.4 p30 -99.02 162.67 12.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.808 0.337 . . . . 0.0 110.808 -179.63 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.485 ' C ' ' H ' ' A' ' 48' ' ' GLN . 98.0 mt-30 -56.73 -17.22 8.23 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.137 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.52 HE21 ' CG ' ' A' ' 54' ' ' ASP . 97.6 mt-30 -53.56 -7.3 0.1 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.579 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.485 ' H ' ' C ' ' A' ' 46' ' ' GLN . 8.3 pt20 -55.42 -31.46 61.89 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.97 0.414 . . . . 0.0 109.958 179.645 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 60.0 ttm-85 -131.99 144.72 50.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.063 179.49 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 81.6 p -69.87 143.38 52.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.452 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -178.17 -129.41 1.27 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.21 157.89 80.32 Favored Pre-proline 0 C--N 1.329 -0.326 0 C-N-CA 121.222 -0.191 . . . . 0.0 110.699 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -39.09 161.24 0.02 OUTLIER 'Trans proline' 0 C--N 1.314 -1.281 0 C-N-CA 122.47 2.113 . . . . 0.0 112.139 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.52 ' CG ' HE21 ' A' ' 47' ' ' GLN . 76.8 m-20 -70.07 137.56 51.31 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.65 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -102.78 -74.17 0.64 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.89 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -67.67 -76.43 0.09 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.976 -179.501 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 54.45 97.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.455 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 151.84 76.49 0.02 OUTLIER Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 -179.663 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.536 ' HG1' ' NE ' ' A' ' 61' ' ' ARG . 0.1 OUTLIER -87.59 -166.54 1.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.407 -0.22 . . . . 0.0 110.407 -179.629 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.524 ' N ' ' OG1' ' A' ' 59' ' ' THR . 18.5 m-85 -70.09 -44.58 68.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.998 0.428 . . . . 0.0 110.785 -179.456 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.81 ' HE ' ' H ' ' A' ' 61' ' ' ARG . 0.2 OUTLIER -60.6 -32.04 71.17 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.772 179.489 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.8 t -60.86 -32.29 71.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.619 -179.505 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 84.5 p -63.15 -31.54 72.71 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.99 -178.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.412 HG23 ' H ' ' A' ' 64' ' ' ILE . 0.9 OUTLIER -63.46 -31.08 51.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.777 0.322 . . . . 0.0 110.27 179.115 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -56.88 -31.06 64.47 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.526 ' O ' ' N ' ' A' ' 70' ' ' ARG . 5.2 mtt180 -58.03 -34.49 70.11 Favored 'General case' 0 C--O 1.222 -0.391 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 178.385 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.8 tp -56.12 -23.75 36.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.249 -179.588 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 25.4 m -65.49 -48.57 72.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.489 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 68.1 p -105.02 -35.44 7.65 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.046 0.45 . . . . 0.0 110.463 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.526 ' N ' ' O ' ' A' ' 66' ' ' ARG . 18.0 mtp180 69.3 -79.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.322 -0.854 . . . . 0.0 112.22 179.157 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -129.18 154.78 46.42 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.179 0.514 . . . . 0.0 111.37 -178.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 118.07 -0.967 . . . . 0.0 110.587 -179.996 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 t -133.14 58.5 35.33 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.591 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -71.2 -10.67 27.69 Favored 'Trans proline' 0 C--N 1.306 -1.694 0 C-N-CA 122.697 2.264 . . . . 0.0 112.078 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 18.5 mmtp -74.96 -4.86 40.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.614 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -96.28 154.7 17.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.666 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 31.2 t60 -104.75 135.75 45.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.418 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.6 161.3 26.32 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.435 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.411 ' O ' ' O ' ' A' ' 11' ' ' TYR . 44.6 Cg_endo -70.4 -37.71 7.3 Favored 'Trans proline' 0 C--N 1.311 -1.427 0 C-N-CA 122.456 2.104 . . . . 0.0 112.124 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -53.1 -41.55 65.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.746 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 27.9 m -65.66 -39.96 91.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.82 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.469 ' CE2' ' CD ' ' A' ' 14' ' ' GLN . 39.5 t80 -138.61 131.47 29.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.746 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.467 ' CB ' ' O ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER 158.24 -32.08 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.356 179.698 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -78.15 30.89 0.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.432 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.469 ' CD ' ' CE2' ' A' ' 11' ' ' TYR . 11.3 mm100 -51.93 -51.47 56.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.508 -179.208 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 83.6 p -83.14 -32.88 26.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.78 0.324 . . . . 0.0 111.533 -179.099 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.8 tp -79.77 -7.9 58.93 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.46 -178.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -68.58 -52.87 26.98 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.921 -0.312 . . . . 0.0 111.057 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.453 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -94.12 -2.0 10.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.058 -179.427 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -53.58 -99.59 0.01 OUTLIER Glycine 0 CA--C 1.529 0.91 0 N-CA-C 111.823 -0.511 . . . . 0.0 111.823 -179.505 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -38.84 -35.08 0.32 Allowed Glycine 0 CA--C 1.527 0.827 0 N-CA-C 112.199 -0.361 . . . . 0.0 112.199 -179.071 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.0 mp -57.61 -51.23 70.34 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.629 -0.429 . . . . 0.0 110.922 -179.416 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 18' ' ' ILE . 73.2 t -67.42 -49.39 71.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.3 -179.454 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.3 mm -56.8 -46.27 83.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.883 -179.495 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.8 -38.07 74.87 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.537 -0.465 . . . . 0.0 109.768 179.395 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.0 -42.24 96.81 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.486 -0.645 . . . . 0.0 111.486 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.6 mm -64.52 -44.6 96.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 C-N-CA 120.546 -0.462 . . . . 0.0 111.49 -179.242 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 24.8 tp -57.11 -47.19 81.69 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.565 -0.454 . . . . 0.0 111.387 -178.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -71.63 -36.76 70.86 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.35 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 34.9 mt -65.25 -45.83 92.49 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.326 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.8 tp -64.68 -34.39 78.18 Favored 'General case' 0 N--CA 1.437 -1.094 0 N-CA-C 104.746 -2.316 . . . . 0.0 104.746 176.129 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.664 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -56.92 -49.96 67.47 Favored Glycine 0 CA--C 1.532 1.096 0 CA-C-N 113.363 -1.744 . . . . 0.0 111.203 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 75.8 mt -70.35 -44.95 77.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.638 0.256 . . . . 0.0 111.391 -179.376 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.33 -46.35 90.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.076 0.465 . . . . 0.0 109.877 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.4 mt -59.97 -46.11 94.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.414 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 31' ' ' GLY . 56.0 t -56.81 -52.26 57.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.851 -179.109 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 79.4 mt -66.25 -33.88 76.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.531 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.498 ' O ' ' SG ' ' A' ' 40' ' ' CYS . 59.7 m -61.91 -35.28 77.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.278 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.7 mmt180 -56.86 -31.84 65.21 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.618 -179.211 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.733 HH12 ' HZ2' ' A' ' 43' ' ' LYS . 19.6 mtp-105 -67.13 -31.73 72.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.642 179.763 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.516 ' SG ' ' N ' ' A' ' 41' ' ' ARG . 1.7 p -57.93 -38.17 75.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.488 -179.648 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.516 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 37.1 ttp180 -63.45 -43.92 96.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.624 0.25 . . . . 0.0 111.306 -179.586 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 21.7 m -75.12 -38.97 60.93 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.284 -179.345 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.733 ' HZ2' HH12 ' A' ' 39' ' ' ARG . 39.7 mtmt -72.85 -23.13 60.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.808 -179.2 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.478 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 49.5 t80 -67.53 -48.72 66.2 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.351 -0.54 . . . . 0.0 112.187 -178.406 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.478 ' CB ' ' O ' ' A' ' 44' ' ' PHE . 0.8 OUTLIER 155.62 -5.58 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.795 0 O-C-N 123.724 0.64 . . . . 0.0 110.054 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -56.74 -31.63 64.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.103 -179.571 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -60.22 -22.53 63.12 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.505 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -58.05 -45.14 87.53 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.77 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -150.31 -95.21 0.07 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.643 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.0 t -169.05 -9.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.684 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 105.1 116.39 4.21 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.433 ' O ' ' O ' ' A' ' 53' ' ' PRO . 6.1 pt-20 -78.45 152.03 78.11 Favored Pre-proline 0 CA--C 1.536 0.439 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' A' ' 55' ' ' GLU . 31.4 Cg_exo -47.27 -176.59 0.0 OUTLIER 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 121.979 1.786 . . . . 0.0 112.622 179.329 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 58.6 -81.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.986 179.565 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.515 ' O ' ' N ' ' A' ' 57' ' ' GLU . 78.5 mm-40 -55.61 -59.94 4.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.823 0.344 . . . . 0.0 110.601 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 42.12 19.2 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.093 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.515 ' N ' ' O ' ' A' ' 55' ' ' GLU . 5.6 mm-40 -84.09 100.12 10.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.448 179.722 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -96.15 -84.36 1.69 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -130.1 179.39 5.91 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.741 0.305 . . . . 0.0 110.452 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -69.53 -44.35 71.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.314 0.578 . . . . 0.0 109.686 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -64.13 -32.14 73.6 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.838 178.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 18.2 m -60.39 -32.62 71.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.564 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 55.7 p -63.63 -25.94 68.45 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.206 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.44 HG13 HD12 ' A' ' 67' ' ' LEU . 1.2 tp -65.34 -33.37 63.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.028 179.416 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 90.3 mtm-85 -59.52 -31.19 69.16 Favored 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.517 ' O ' ' N ' ' A' ' 70' ' ' ARG . 2.6 mmp_? -55.88 -36.71 67.91 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 179.683 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.44 HD12 HG13 ' A' ' 64' ' ' ILE . 50.0 mt -57.34 -26.92 61.72 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.716 -0.393 . . . . 0.0 110.736 179.66 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.6 t -64.11 -48.2 77.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.421 -179.295 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.5 p -102.51 -39.17 7.23 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.881 0.372 . . . . 0.0 110.838 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.517 ' N ' ' O ' ' A' ' 66' ' ' ARG . 14.7 ttp180 -62.9 -68.31 0.35 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.845 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.413 ' O ' ' O ' ' A' ' 67' ' ' LEU . 0.8 OUTLIER -148.67 125.75 11.38 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.918 -179.61 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 . . . . . 0 C--O 1.221 -0.413 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.662 179.874 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 . . . . . 0 N--CA 1.489 1.481 0 N-CA-C 109.408 -0.589 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.53 162.52 54.37 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.576 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -71.02 -20.67 28.62 Favored 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 122.656 2.237 . . . . 0.0 112.307 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 38.3 mmtm -74.79 -19.69 60.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.686 -179.702 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -62.37 -25.32 67.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.602 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 3.6 m80 -78.78 150.66 32.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.618 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.431 ' N ' ' CD ' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -86.66 -49.52 0.48 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.69 -179.849 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.431 ' CD ' ' N ' ' A' ' 7' ' ' ASP . 43.0 Cg_endo -78.65 -19.36 11.4 Favored 'Trans proline' 0 C--N 1.314 -1.259 0 C-N-CA 122.076 1.851 . . . . 0.0 112.66 -179.24 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -57.97 -36.38 72.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.892 0.377 . . . . 0.0 110.432 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 85.5 m -58.02 -34.99 70.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.716 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -106.72 134.44 49.86 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.619 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.487 ' C ' ' H ' ' A' ' 14' ' ' GLN . 83.9 m-20 -80.17 -17.35 52.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.503 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.457 ' O ' ' N ' ' A' ' 17' ' ' GLN . 53.0 m-85 -73.37 34.31 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.506 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.487 ' H ' ' C ' ' A' ' 12' ' ' ASP . 57.1 mt-30 -51.43 -52.36 46.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.771 -179.484 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 93.3 p -83.13 -32.19 26.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.795 0.331 . . . . 0.0 110.973 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 tp -79.69 -3.06 45.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.002 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 13' ' ' TYR . 18.2 tt0 -76.89 -42.51 39.51 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.439 -179.338 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.424 ' O ' ' O ' ' A' ' 19' ' ' GLY . 0.3 OUTLIER -102.99 -16.65 7.41 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 CA-C-O 120.772 0.32 . . . . 0.0 111.146 -178.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.52 ' O ' ' N ' ' A' ' 21' ' ' LEU . . . -42.29 -98.03 0.01 OUTLIER Glycine 0 CA--C 1.527 0.788 0 C-N-CA 121.257 -0.497 . . . . 0.0 111.922 -179.114 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -35.58 -26.92 0.01 OUTLIER Glycine 0 CA--C 1.525 0.706 0 N-CA-C 112.226 -0.35 . . . . 0.0 112.226 -179.127 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.52 ' N ' ' O ' ' A' ' 19' ' ' GLY . 2.9 mp -68.6 -51.46 42.17 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.105 -179.688 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.414 HG23 HD12 ' A' ' 18' ' ' ILE . 14.4 t -68.4 -49.76 63.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.196 -179.733 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 36.7 mm -55.45 -45.05 78.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-O 120.913 0.387 . . . . 0.0 110.367 -179.411 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.67 -37.68 76.55 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.885 179.466 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.94 -37.92 95.33 Favored Glycine 0 CA--C 1.528 0.874 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.046 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 12.6 mm -66.87 -44.65 88.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 C-N-CA 120.317 -0.553 . . . . 0.0 111.519 -179.089 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 34.2 tp -60.69 -47.87 84.35 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 120.82 0.343 . . . . 0.0 111.37 -178.61 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -69.55 -38.06 77.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.79 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.9 mt -60.73 -43.69 95.68 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.704 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.151 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 mp -63.85 -33.44 75.69 Favored 'General case' 0 N--CA 1.432 -1.372 0 N-CA-C 104.914 -2.254 . . . . 0.0 104.914 175.678 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.555 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -56.19 -50.64 60.84 Favored Glycine 0 CA--C 1.531 1.053 0 CA-C-N 114.223 -1.353 . . . . 0.0 111.559 -179.535 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.8 mm -70.12 -44.48 78.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.951 0.375 . . . . 0.0 111.576 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.4 mt -63.65 -47.92 79.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.057 0.456 . . . . 0.0 110.736 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 72.6 mt -60.37 -44.82 96.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.615 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 31' ' ' GLY . 40.5 t -56.44 -52.2 55.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.546 -179.217 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 83.0 mt -66.27 -31.85 72.91 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.346 179.542 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.1 t -61.46 -37.04 82.15 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.144 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.9 mtt85 -57.76 -40.1 78.97 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.644 -179.457 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 71.7 mtt85 -57.53 -28.35 63.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.6 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 30.8 m -61.03 -49.27 78.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.048 -179.637 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.8 mtm180 -54.8 -38.84 67.8 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.808 -179.493 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.3 m -77.03 -38.02 53.7 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.706 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -76.09 -27.68 57.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.455 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -65.25 -48.44 73.24 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.779 -0.368 . . . . 0.0 111.652 -178.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -89.33 108.82 19.84 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.685 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.425 ' O ' ' O ' ' A' ' 49' ' ' ARG . 12.0 mt-30 -63.79 -31.89 73.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.715 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 59.8 mm-40 -55.43 -37.89 68.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.722 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -66.57 -41.32 88.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.734 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.425 ' O ' ' O ' ' A' ' 46' ' ' GLN . 4.5 mtt-85 -141.78 -121.07 0.1 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.78 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 84.8 m -144.69 133.56 22.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.456 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -167.48 -177.24 38.85 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -84.63 157.23 61.35 Favored Pre-proline 0 CA--C 1.531 0.249 0 N-CA-C 110.14 -0.318 . . . . 0.0 110.14 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -39.29 159.39 0.03 OUTLIER 'Trans proline' 0 C--N 1.314 -1.261 0 C-N-CA 122.375 2.05 . . . . 0.0 112.221 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -84.44 132.7 34.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.595 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -121.66 -59.1 1.71 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.569 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -69.29 -81.77 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.704 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.432 ' CG ' ' N ' ' A' ' 58' ' ' GLY . 2.2 tt0 -168.16 -103.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.543 -0.463 . . . . 0.0 111.399 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.432 ' N ' ' CG ' ' A' ' 57' ' ' GLU . . . 119.22 -49.51 0.87 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 109.931 -1.268 . . . . 0.0 109.931 -179.124 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.7 m -79.67 15.76 1.27 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.221 0.534 . . . . 0.0 109.566 179.028 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -69.26 -44.39 71.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.709 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 26.2 ttt180 -62.27 -33.06 73.91 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.639 179.294 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.17 -33.32 73.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.898 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 82.6 p -63.72 -31.74 73.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.11 0.481 . . . . 0.0 109.819 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.1 tt -62.91 -32.97 57.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.467 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.1 mmt85 -57.5 -29.71 64.53 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 179.424 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.541 ' O ' ' N ' ' A' ' 70' ' ' ARG . 39.1 ttm180 -54.95 -34.92 63.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.512 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.0 mt -62.26 -22.59 66.11 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.891 -0.324 . . . . 0.0 111.178 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.2 t -64.38 -49.24 72.38 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.653 -0.419 . . . . 0.0 111.186 -178.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 18.8 p -107.3 -39.48 5.67 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.147 0.499 . . . . 0.0 109.999 179.395 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.541 ' N ' ' O ' ' A' ' 66' ' ' ARG . 18.9 ptt85 31.92 92.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 114.763 -1.108 . . . . 0.0 111.929 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -155.67 155.53 33.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.572 179.394 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.423 HH11 ' CG ' ' A' ' 72' ' ' ARG . 7.7 mtt-85 . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.398 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 t -133.3 58.7 36.15 Favored Pre-proline 0 C--N 1.331 -0.209 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.603 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -71.51 -11.89 28.76 Favored 'Trans proline' 0 C--N 1.307 -1.626 0 C-N-CA 122.642 2.228 . . . . 0.0 112.179 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 23.3 mmtp -74.9 -8.62 57.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.534 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -68.97 146.5 52.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.464 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -83.25 -13.54 55.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.665 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.05 161.36 76.02 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.5 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -70.03 141.2 43.53 Favored 'Trans proline' 0 C--N 1.31 -1.473 0 C-N-CA 122.5 2.134 . . . . 0.0 112.063 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -102.13 132.49 47.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.477 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 39.2 p -106.44 150.56 25.94 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.535 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -113.5 138.85 49.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.518 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 53.8 p30 -80.41 -7.94 59.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.984 0.421 . . . . 0.0 110.304 179.536 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -86.0 31.12 0.64 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.77 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -51.08 -46.48 61.77 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.769 -178.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 74.5 p -83.91 -32.39 25.16 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -178.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.1 tp -79.17 -12.0 59.98 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -178.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -64.25 -52.46 58.58 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.543 -0.463 . . . . 0.0 111.143 -179.503 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.73 HG22 HG23 ' A' ' 22' ' ' VAL . 10.7 mm -93.24 -11.8 9.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.969 0.414 . . . . 0.0 110.948 -179.51 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -43.48 -96.91 0.01 OUTLIER Glycine 0 CA--C 1.531 1.056 0 C-N-CA 121.398 -0.43 . . . . 0.0 112.254 -179.46 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -39.69 -37.14 0.84 Allowed Glycine 0 CA--C 1.528 0.896 0 N-CA-C 112.632 -0.187 . . . . 0.0 112.632 -178.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.1 mp -54.74 -50.71 67.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 117.117 0.458 . . . . 0.0 111.012 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.73 HG23 HG22 ' A' ' 18' ' ' ILE . 58.9 t -67.5 -49.07 74.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.421 -179.455 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.3 mm -56.86 -46.26 83.53 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.167 0 CA-C-O 120.889 0.376 . . . . 0.0 110.778 -179.231 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.36 -34.99 76.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.982 0.42 . . . . 0.0 110.293 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.75 -41.45 97.61 Favored Glycine 0 CA--C 1.526 0.735 0 CA-C-N 115.793 -0.639 . . . . 0.0 112.296 -179.48 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.519 HG23 ' O ' ' A' ' 22' ' ' VAL . 0.2 OUTLIER -69.37 -38.93 78.22 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 CA-C-N 117.543 0.671 . . . . 0.0 112.125 -178.489 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.2 tt -64.46 -47.7 78.03 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.036 0.446 . . . . 0.0 111.332 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.511 ' CE2' HD11 ' A' ' 32' ' ' ILE . 88.3 t80 -71.48 -37.27 71.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.109 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 12.1 mt -61.3 -47.17 94.71 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.794 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 178.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.4 mt -59.76 -33.44 71.67 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 105.09 -2.189 . . . . 0.0 105.09 175.333 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.571 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -56.34 -48.86 72.31 Favored Glycine 0 CA--C 1.53 1.017 0 CA-C-N 114.285 -1.325 . . . . 0.0 111.219 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.511 HD11 ' CE2' ' A' ' 28' ' ' PHE . 87.5 mt -70.39 -45.03 76.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -179.482 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.0 mt -63.73 -44.84 92.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.172 0.511 . . . . 0.0 110.286 -179.659 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 48.9 mt -60.29 -46.23 95.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.476 -179.505 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 31' ' ' GLY . 52.9 t -56.69 -52.0 59.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.796 -179.086 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 78.1 mt -66.23 -33.0 74.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.599 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 52.3 m -64.28 -35.82 82.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.163 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -57.34 -33.0 67.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.641 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 23.4 ttt180 -64.96 -29.38 70.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.674 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 48.5 m -59.08 -48.36 81.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.529 -179.341 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 49.6 ttm-85 -55.23 -43.06 74.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.033 -179.552 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -78.97 -31.87 45.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.092 -179.358 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.6 mmtm -78.58 -28.01 45.75 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.509 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.46 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 2.5 m-85 -65.75 -49.84 66.92 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.37 -0.532 . . . . 0.0 112.101 -178.116 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 44' ' ' PHE . 11.7 m-20 150.54 140.52 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.951 0 O-C-N 123.889 0.743 . . . . 0.0 110.165 179.636 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -80.24 -25.17 39.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.924 0.392 . . . . 0.0 110.488 179.041 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -64.71 -18.02 64.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.509 -179.388 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 92.6 mm-40 -55.72 -25.77 41.93 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.954 -0.298 . . . . 0.0 110.805 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 53.8 ttt180 -72.41 105.47 4.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.403 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 66.4 p 41.44 65.63 0.81 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.647 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -130.15 -137.18 4.14 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -80.68 157.26 72.32 Favored Pre-proline 0 C--N 1.33 -0.278 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -39.07 146.5 0.16 Allowed 'Trans proline' 0 C--N 1.314 -1.256 0 C-N-CA 122.181 1.921 . . . . 0.0 112.21 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.9 p-10 -115.23 173.01 6.72 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.707 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -95.91 -170.03 2.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.432 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -57.04 -33.69 67.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.489 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -102.16 165.44 11.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.185 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.474 ' C ' ' H ' ' A' ' 60' ' ' PHE . . . 78.44 144.45 2.5 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.407 -1.077 . . . . 0.0 110.407 -179.584 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.8 m 60.96 1.49 0.46 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.941 0.4 . . . . 0.0 110.127 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.474 ' H ' ' C ' ' A' ' 58' ' ' GLY . 83.4 t80 -69.39 -43.96 72.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.407 0.622 . . . . 0.0 109.724 179.691 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.411 ' O ' HG22 ' A' ' 64' ' ' ILE . 34.5 ttt85 -64.59 -32.05 73.53 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.964 -1.016 . . . . 0.0 109.579 178.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 18.7 p -66.1 -33.61 76.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.283 -179.386 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 77.5 p -64.58 -28.4 69.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.739 0.304 . . . . 0.0 110.558 -179.584 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.411 HG22 ' O ' ' A' ' 61' ' ' ARG . 1.3 tp -62.69 -31.67 52.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.783 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -56.91 -29.41 63.02 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.497 ' O ' ' N ' ' A' ' 70' ' ' ARG . 1.8 ptm85 -54.16 -34.85 61.43 Favored 'General case' 0 C--O 1.223 -0.325 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 179.398 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.6 tp -56.89 -26.6 59.24 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.693 179.29 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.6 m -71.48 -48.0 51.91 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.771 -179.34 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.424 HG23 ' N ' ' A' ' 70' ' ' ARG . 8.8 t -98.3 -37.49 9.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.706 0.289 . . . . 0.0 111.617 -178.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 66' ' ' ARG . 6.6 ttm180 -57.29 -55.46 34.42 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 120.701 -0.4 . . . . 0.0 111.056 -179.125 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.9 ttt85 -120.85 140.3 51.97 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.962 0.41 . . . . 0.0 110.827 -179.48 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 78.3 mtp180 . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.593 179.748 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 . . . . . 0 N--CA 1.461 0.081 0 CA-C-O 120.919 0.39 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -51.46 -48.24 62.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 82.4 p -84.52 -32.36 23.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 112.025 -179.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 tp -80.69 -4.05 52.93 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -178.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -73.75 -47.09 41.75 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.62 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.647 HG22 HG23 ' A' ' 22' ' ' VAL . 13.9 mm -95.96 -27.38 4.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 120.674 0.273 . . . . 0.0 111.396 -179.154 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -37.51 -81.88 0.02 OUTLIER Glycine 0 CA--C 1.528 0.896 0 CA-C-N 116.168 -0.469 . . . . 0.0 112.128 -179.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.462 ' HA2' HD11 ' A' ' 23' ' ' ILE . . . -42.36 -37.84 2.62 Favored Glycine 0 CA--C 1.529 0.913 0 N-CA-C 112.22 -0.352 . . . . 0.0 112.22 -179.016 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.7 mt -65.44 -44.2 88.07 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -178.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.647 HG23 HG22 ' A' ' 18' ' ' ILE . 18.3 t -68.32 -49.28 68.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -178.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.462 HD11 ' HA2' ' A' ' 20' ' ' GLY . 8.3 pt -65.0 -41.77 92.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 120.976 -0.29 . . . . 0.0 111.517 -178.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.14 -45.07 94.28 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.193 0.52 . . . . 0.0 110.224 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.92 -36.2 93.1 Favored Glycine 0 CA--C 1.525 0.665 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.61 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -65.65 -36.05 76.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.415 -0.514 . . . . 0.0 110.867 -179.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.7 tp -64.87 -47.37 78.11 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.48 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -71.13 -36.39 72.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.465 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 30.6 mt -65.19 -44.99 95.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 179.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.6 tp -64.77 -34.28 77.98 Favored 'General case' 0 N--CA 1.436 -1.161 0 N-CA-C 105.27 -2.122 . . . . 0.0 105.27 176.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.511 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -59.5 -52.35 53.62 Favored Glycine 0 CA--C 1.531 1.034 0 CA-C-N 113.15 -1.841 . . . . 0.0 111.544 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 87.7 mt -63.96 -44.59 97.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.608 0.242 . . . . 0.0 111.161 -179.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.4 mt -63.62 -44.27 94.41 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 23.5 mt -61.03 -45.75 97.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.247 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 31' ' ' GLY . 49.3 t -57.05 -52.16 59.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.108 -179.068 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 76.8 mt -66.36 -32.28 73.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.636 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.446 ' O ' ' SG ' ' A' ' 40' ' ' CYS . 73.6 m -61.26 -35.84 78.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.563 -179.374 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -57.2 -34.15 68.24 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.572 -179.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 44.7 mmt-85 -63.34 -31.25 72.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.458 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.58 ' SG ' ' N ' ' A' ' 41' ' ' ARG . 0.8 OUTLIER -59.57 -39.27 83.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.704 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.58 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 76.6 mtt-85 -62.58 -45.47 92.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.053 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 7.8 m -79.0 -33.55 44.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.055 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -72.94 -30.28 63.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.379 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -65.59 -47.25 76.38 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.049 0.388 . . . . 0.0 112.049 -178.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.38 0 C-N-CA 120.574 -0.45 . . . . 0.0 111.011 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 . . . . . 0 CA--C 1.524 -0.038 0 CA-C-O 120.763 0.316 . . . . 0.0 110.372 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -51.98 -49.79 62.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.103 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 83.7 p -84.53 -32.73 23.73 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.826 -0.349 . . . . 0.0 111.275 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 tp -79.07 -5.55 54.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.301 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -72.83 -53.34 11.74 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.871 -0.332 . . . . 0.0 111.22 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.518 HG22 HG23 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -91.22 -4.95 10.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.806 0.336 . . . . 0.0 111.369 -179.279 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 21' ' ' LEU . . . -51.08 -105.34 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 C-N-CA 121.194 -0.527 . . . . 0.0 111.844 -179.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -33.51 -32.52 0.01 OUTLIER Glycine 0 CA--C 1.528 0.886 0 CA-C-N 115.612 -0.294 . . . . 0.0 112.714 -178.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 19' ' ' GLY . 28.6 mt -63.91 -51.03 66.39 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.919 -179.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.518 HG23 HG22 ' A' ' 18' ' ' ILE . 78.1 t -67.81 -49.65 67.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.861 -0.336 . . . . 0.0 111.063 -179.578 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.9 mm -57.65 -45.95 86.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.525 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.42 -37.37 72.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.057 0.456 . . . . 0.0 110.028 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.37 -41.1 99.44 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.395 -0.682 . . . . 0.0 111.395 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.6 mm -64.52 -44.44 96.89 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.151 0 C-N-CA 120.385 -0.526 . . . . 0.0 111.319 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 30.4 tp -58.14 -47.82 82.14 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 120.654 0.264 . . . . 0.0 111.538 -178.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.403 ' O ' ' N ' ' A' ' 31' ' ' GLY . 17.2 m-85 -70.54 -41.12 72.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.766 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.9 mt -58.7 -44.75 90.6 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.377 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.8 mp -63.76 -33.63 76.08 Favored 'General case' 0 N--CA 1.434 -1.268 0 N-CA-C 104.511 -2.403 . . . . 0.0 104.511 175.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . -56.33 -51.48 55.87 Favored Glycine 0 CA--C 1.533 1.182 0 CA-C-N 113.669 -1.605 . . . . 0.0 111.937 -179.381 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 15.4 mm -70.51 -44.71 76.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 116.86 0.33 . . . . 0.0 111.333 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.9 mt -61.01 -46.18 91.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.173 0.511 . . . . 0.0 110.031 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.3 mt -60.21 -44.67 95.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.824 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 34.4 t -59.5 -52.92 55.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 N-CA-C 112.138 0.422 . . . . 0.0 112.138 -178.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.2 mp -66.63 -31.84 72.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.951 0.405 . . . . 0.0 110.271 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.49 ' O ' ' SG ' ' A' ' 40' ' ' CYS . 21.8 m -60.77 -35.82 77.4 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.346 -179.462 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -57.13 -37.08 71.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.853 0.359 . . . . 0.0 110.535 -179.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 52.6 ttt85 -60.45 -29.38 68.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.414 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.574 ' SG ' ' N ' ' A' ' 41' ' ' ARG . 0.8 OUTLIER -59.86 -40.78 89.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.968 -179.816 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.574 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 56.5 ttt85 -61.22 -44.84 96.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.83 0.348 . . . . 0.0 110.485 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.3 m -72.75 -46.18 54.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.576 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.2 tttm -67.09 -27.63 67.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.158 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -66.29 -45.52 80.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.396 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.533 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 . . . . . 0 CA--C 1.526 0.05 0 CA-C-O 120.592 0.234 . . . . 0.0 110.793 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 71.0 tp60 -51.46 -52.13 49.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.035 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 83.7 p -83.81 -30.72 26.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.405 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 tp -82.14 -3.35 54.68 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.435 -179.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.519 ' O ' ' NE2' ' A' ' 17' ' ' GLN . 19.7 tp60 -77.48 -45.26 26.18 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.236 -179.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.592 ' O ' HG22 ' A' ' 18' ' ' ILE . 42.4 mm -100.31 -5.0 9.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.668 0.271 . . . . 0.0 111.111 -179.526 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 21' ' ' LEU . . . -50.02 -99.43 0.01 OUTLIER Glycine 0 CA--C 1.528 0.9 0 C-N-CA 121.206 -0.521 . . . . 0.0 111.955 -179.412 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -36.32 -29.3 0.02 OUTLIER Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.961 -0.455 . . . . 0.0 111.961 -179.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 19' ' ' GLY . 3.4 mp -62.26 -51.43 67.76 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.871 -0.332 . . . . 0.0 111.072 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.1 t -69.32 -49.48 60.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.068 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 79.3 mt -58.49 -46.28 89.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.942 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.77 -45.6 82.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.99 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.48 -35.44 91.07 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 111.504 -0.638 . . . . 0.0 111.504 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 83.9 mt -64.33 -44.46 97.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -178.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 54.7 mt -63.62 -47.55 80.94 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.824 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.47 ' CE1' HD11 ' A' ' 32' ' ' ILE . 56.4 t80 -66.73 -39.17 87.85 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.829 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 18.5 mt -63.94 -41.13 91.53 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.365 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.0 mt -64.7 -33.97 77.22 Favored 'General case' 0 N--CA 1.435 -1.196 0 N-CA-C 104.902 -2.258 . . . . 0.0 104.902 175.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.416 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -56.95 -52.23 52.42 Favored Glycine 0 CA--C 1.531 1.088 0 CA-C-N 113.184 -1.825 . . . . 0.0 111.699 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.47 HD11 ' CE1' ' A' ' 28' ' ' PHE . 31.9 mm -66.01 -44.84 92.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.225 0 O-C-N 122.575 -0.368 . . . . 0.0 111.333 -179.285 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 91.1 mt -63.6 -44.25 94.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.052 0.454 . . . . 0.0 110.1 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 32.0 mt -60.69 -47.74 91.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.371 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 31' ' ' GLY . 41.2 t -56.87 -52.68 52.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.164 -179.142 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 82.9 mt -66.29 -33.83 76.62 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.744 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 73.5 m -61.54 -36.63 81.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.304 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -57.5 -37.25 72.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.873 0.368 . . . . 0.0 110.83 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.589 ' HD3' ' HZ2' ' A' ' 43' ' ' LYS . 56.7 ttt180 -59.61 -27.59 66.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.595 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 35.4 m -60.33 -44.7 95.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.987 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -56.96 -41.44 78.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.559 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.57 -36.37 57.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.589 ' HZ2' ' HD3' ' A' ' 39' ' ' ARG . 66.4 mttt -76.73 -30.31 56.57 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.52 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.601 ' CE2' ' ND2' ' A' ' 45' ' ' ASN . 39.0 t80 -65.25 -48.47 73.15 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.62 -178.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.601 ' ND2' ' CE2' ' A' ' 44' ' ' PHE . 65.8 m-20 . . . . . 0 C--N 1.328 -0.369 0 CA-C-O 120.747 0.308 . . . . 0.0 110.639 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.423 ' O ' ' N ' ' A' ' 17' ' ' GLN . 58.0 m-85 . . . . . 0 N--CA 1.46 0.031 0 CA-C-O 120.753 0.311 . . . . 0.0 110.527 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -51.7 -50.28 60.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.275 -179.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 83.0 p -84.28 -34.64 23.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.575 -179.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 tp -77.53 -14.12 59.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.626 -179.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 13' ' ' TYR . 26.9 tt0 -66.03 -49.68 66.88 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.909 -0.316 . . . . 0.0 111.402 -179.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.728 HG22 HG23 ' A' ' 22' ' ' VAL . 6.4 mt -93.85 -12.68 8.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.862 0.363 . . . . 0.0 111.161 -179.196 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -44.37 -96.44 0.01 OUTLIER Glycine 0 CA--C 1.528 0.847 0 C-N-CA 121.232 -0.508 . . . . 0.0 111.933 -179.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -37.01 -35.78 0.15 Allowed Glycine 0 CA--C 1.528 0.898 0 N-CA-C 112.133 -0.387 . . . . 0.0 112.133 -178.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.3 mt -58.8 -50.27 74.58 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 122.615 -0.344 . . . . 0.0 111.613 -179.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.728 HG23 HG22 ' A' ' 18' ' ' ILE . 73.4 t -69.22 -47.1 75.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.679 0.276 . . . . 0.0 111.599 -179.137 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 81.7 mt -62.44 -46.25 96.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.599 -178.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.95 -44.15 94.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.984 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.67 -36.39 91.53 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 64.8 mt -63.73 -43.98 98.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.358 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 31.7 tp -60.53 -46.92 88.4 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.653 0.263 . . . . 0.0 110.871 -179.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -68.76 -36.72 78.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.728 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.4 mt -64.53 -44.15 96.87 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 179.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.1 tp -64.77 -34.42 78.3 Favored 'General case' 0 N--CA 1.437 -1.085 0 N-CA-C 104.756 -2.313 . . . . 0.0 104.756 176.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.63 -51.77 55.92 Favored Glycine 0 CA--C 1.532 1.126 0 CA-C-N 113.013 -1.903 . . . . 0.0 111.706 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.0 mt -67.04 -44.64 88.16 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.115 0 O-C-N 122.729 -0.277 . . . . 0.0 111.269 -179.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.5 mt -63.54 -44.62 93.68 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.715 -0.394 . . . . 0.0 109.948 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 29.7 mt -60.19 -47.04 93.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.381 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 39.2 t -56.78 -51.22 69.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.701 0.286 . . . . 0.0 111.068 -179.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.7 tp -66.2 -35.25 79.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.105 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.78 -35.45 76.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.234 -179.303 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.22 -36.02 70.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.801 -179.272 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 34.5 mmm-85 -61.24 -27.83 68.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.628 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 44' ' ' PHE . 36.1 m -60.3 -47.55 85.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.977 -179.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 73.8 ttt180 -54.98 -40.24 69.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.959 0.409 . . . . 0.0 110.43 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.4 m -75.92 -37.03 59.16 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.504 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 53.7 mttt -78.26 -26.76 47.33 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.608 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 40' ' ' CYS . 2.0 m-85 -66.51 -47.01 74.32 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.261 -179.483 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 13.5 m120 . . . . . 0 N--CA 1.464 0.229 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.588 -179.748 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.4 ' O ' ' N ' ' A' ' 17' ' ' GLN . 27.6 m-85 . . . . . 0 N--CA 1.46 0.064 0 CA-C-O 120.55 0.214 . . . . 0.0 110.699 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -51.66 -51.55 55.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.452 -179.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.5 t -83.69 -31.07 26.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.757 0.313 . . . . 0.0 111.422 -179.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.4 mt -79.74 -9.3 59.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.137 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 13' ' ' TYR . 8.5 mm-40 -70.61 -49.15 50.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.833 0.349 . . . . 0.0 110.94 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.669 HG22 HG23 ' A' ' 22' ' ' VAL . 14.1 mm -96.43 -6.15 9.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.044 -179.203 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -51.74 -95.94 0.01 OUTLIER Glycine 0 CA--C 1.528 0.879 0 C-N-CA 121.098 -0.572 . . . . 0.0 111.746 -179.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -38.1 -31.34 0.1 OUTLIER Glycine 0 CA--C 1.528 0.901 0 N-CA-C 112.253 -0.339 . . . . 0.0 112.253 -179.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.6 mp -61.44 -51.4 68.89 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 122.624 -0.339 . . . . 0.0 111.431 -179.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.669 HG23 HG22 ' A' ' 18' ' ' ILE . 61.8 t -68.41 -44.98 82.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.328 -179.149 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.0 mm -62.79 -46.42 96.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 C-N-CA 120.881 -0.327 . . . . 0.0 111.247 -179.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.66 -43.29 84.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.852 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.68 -38.12 95.37 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 80.4 mt -62.53 -43.09 98.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 111.673 0.249 . . . . 0.0 111.673 -179.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 35.9 tp -64.13 -47.6 79.33 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.724 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -67.31 -36.32 81.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.305 179.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.0 mt -66.58 -43.38 90.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 mt -64.71 -34.09 77.5 Favored 'General case' 0 N--CA 1.437 -1.108 0 N-CA-C 104.342 -2.466 . . . . 0.0 104.342 175.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.484 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -57.8 -51.47 57.9 Favored Glycine 0 CA--C 1.531 1.055 0 CA-C-N 112.837 -1.983 . . . . 0.0 111.625 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.1 mt -66.56 -44.5 90.05 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.139 0 O-C-N 122.705 -0.291 . . . . 0.0 111.39 -179.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 94.3 mt -65.03 -44.17 89.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.086 0.47 . . . . 0.0 110.221 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 32.1 mt -60.59 -46.39 95.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.362 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 31' ' ' GLY . 46.2 t -56.49 -52.29 54.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.894 -179.196 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 83.0 mt -66.47 -34.69 78.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.075 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 67.9 m -61.12 -35.57 77.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.507 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -57.49 -34.75 69.38 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.953 -0.299 . . . . 0.0 111.033 -179.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.3 tpp180 -61.32 -30.65 70.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.84 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -57.86 -45.57 86.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.087 -179.529 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.515 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 65.8 ttt-85 -55.83 -43.22 76.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.099 -179.591 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.42 ' O ' ' OD1' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -78.91 -32.8 45.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.468 -179.425 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.6 ttpp -73.82 -32.3 63.65 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.704 -179.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.462 ' CD2' ' N ' ' A' ' 45' ' ' ASN . 0.5 OUTLIER -65.91 -47.93 73.11 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -178.635 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.515 ' ND2' ' O ' ' A' ' 41' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.411 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.301 -179.542 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 . . . . . 0 C--O 1.23 0.027 0 CA-C-O 120.8 0.333 . . . . 0.0 110.318 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -51.51 -51.75 52.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.336 -179.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 83.4 p -82.01 -32.73 30.43 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 121.014 -0.274 . . . . 0.0 111.512 -179.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.0 tp -81.19 -3.86 53.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.362 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -73.76 -47.14 41.2 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.304 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.436 HG12 HG23 ' A' ' 22' ' ' VAL . 2.3 tt -99.15 5.05 9.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.345 -179.077 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 21' ' ' LEU . . . -66.35 -89.72 0.05 OUTLIER Glycine 0 CA--C 1.528 0.866 0 C-N-CA 120.866 -0.683 . . . . 0.0 111.466 -179.498 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.488 ' HA2' HD11 ' A' ' 23' ' ' ILE . . . -37.32 -29.82 0.04 OUTLIER Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.65 -0.58 . . . . 0.0 111.65 -179.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 19' ' ' GLY . 8.8 mp -70.77 -51.21 28.5 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -179.098 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.436 HG23 HG12 ' A' ' 18' ' ' ILE . 19.8 t -68.05 -50.83 55.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 120.471 -0.492 . . . . 0.0 112.227 -178.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.488 HD11 ' HA2' ' A' ' 20' ' ' GLY . 11.0 pt -59.18 -39.77 79.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 120.461 -0.495 . . . . 0.0 110.68 -179.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.91 -37.42 84.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.965 0.412 . . . . 0.0 110.148 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.93 -41.97 99.7 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 111.489 -0.645 . . . . 0.0 111.489 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.9 mm -64.23 -44.29 97.41 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.123 0 C-N-CA 120.388 -0.525 . . . . 0.0 111.027 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 30.4 tp -55.76 -47.56 76.8 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.904 -179.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -71.43 -44.85 64.09 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.226 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 42.5 mt -58.32 -43.43 86.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.1 tp -65.16 -34.6 78.77 Favored 'General case' 0 N--CA 1.437 -1.089 0 N-CA-C 104.901 -2.259 . . . . 0.0 104.901 176.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.463 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -57.39 -52.43 51.72 Favored Glycine 0 CA--C 1.534 1.254 0 CA-C-N 113.272 -1.785 . . . . 0.0 111.713 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 20.6 mm -68.68 -44.8 82.17 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 117.022 0.411 . . . . 0.0 111.019 -179.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.2 mt -59.1 -45.87 89.75 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 31.5 mt -60.5 -44.65 96.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.49 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 31' ' ' GLY . 40.8 t -57.07 -52.87 50.59 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.635 -178.604 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.2 mp -66.8 -33.46 75.67 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.234 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 64.0 m -60.95 -35.85 77.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.068 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -39.04 77.25 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.457 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -58.09 -30.98 66.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.847 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 35.3 m -57.93 -38.99 76.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.687 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -60.33 -38.71 84.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.605 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.5 m -78.92 -37.79 39.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.625 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 37.4 mttm -76.12 -27.25 57.02 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.554 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -65.55 -47.78 74.67 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.522 -178.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 . . . . . 0 C--N 1.329 -0.31 0 C-N-CA 120.764 -0.375 . . . . 0.0 110.973 -179.741 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.411 ' O ' ' N ' ' A' ' 17' ' ' GLN . 24.4 m-85 . . . . . 0 CA--C 1.524 -0.046 0 CA-C-O 120.751 0.31 . . . . 0.0 110.277 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -51.66 -52.26 49.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.019 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 82.5 p -81.84 -30.73 31.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.775 0.321 . . . . 0.0 111.179 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.5 mt -81.43 -3.4 52.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.114 -179.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 13' ' ' TYR . 2.6 mt-30 -74.87 -50.88 15.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.309 -179.533 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.659 HG22 HG23 ' A' ' 22' ' ' VAL . 10.7 mm -95.42 -6.52 10.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.749 0.309 . . . . 0.0 110.892 -179.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.468 ' O ' ' N ' ' A' ' 21' ' ' LEU . . . -48.74 -102.77 0.01 OUTLIER Glycine 0 CA--C 1.527 0.809 0 N-CA-C 111.741 -0.544 . . . . 0.0 111.741 -179.541 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -34.59 -30.9 0.01 OUTLIER Glycine 0 CA--C 1.527 0.815 0 N-CA-C 112.145 -0.382 . . . . 0.0 112.145 -179.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 19' ' ' GLY . 4.9 mp -62.69 -51.53 66.84 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.903 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.659 HG23 HG22 ' A' ' 18' ' ' ILE . 11.2 t -68.39 -50.28 58.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.88 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 80.1 mt -56.32 -46.27 81.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.908 0.385 . . . . 0.0 110.436 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.4 -37.35 70.02 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.972 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.44 -39.06 97.3 Favored Glycine 0 CA--C 1.529 0.915 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.74 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.0 mm -65.21 -44.7 95.18 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.177 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.504 -179.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 47.1 mt -60.43 -47.44 86.1 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 120.771 -0.372 . . . . 0.0 111.411 -179.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -70.26 -36.41 74.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.855 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 16.6 mt -66.4 -43.52 91.16 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.384 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.9 mt -64.63 -34.35 78.07 Favored 'General case' 0 N--CA 1.436 -1.169 0 N-CA-C 104.955 -2.239 . . . . 0.0 104.955 176.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.605 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -58.17 -51.88 55.82 Favored Glycine 0 CA--C 1.53 1.003 0 CA-C-N 113.577 -1.647 . . . . 0.0 111.23 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 90.8 mt -65.44 -45.09 93.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 O-C-N 122.719 -0.283 . . . . 0.0 111.482 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 97.5 mt -64.31 -45.85 86.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.994 0.426 . . . . 0.0 110.156 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 41.5 mt -60.15 -45.93 95.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.574 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 31' ' ' GLY . 54.6 t -56.42 -52.3 54.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.935 -179.149 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 78.6 mt -66.15 -33.98 77.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.844 0.354 . . . . 0.0 110.613 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.496 ' O ' ' SG ' ' A' ' 40' ' ' CYS . 59.4 m -61.42 -35.27 77.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.365 -179.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -56.64 -31.96 64.87 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.816 -179.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.7 mtp85 -67.27 -30.54 70.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.806 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.579 ' SG ' ' N ' ' A' ' 41' ' ' ARG . 1.8 p -58.78 -42.77 89.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.29 -179.232 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.579 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 18.3 ttp85 -58.18 -43.68 87.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.882 0.372 . . . . 0.0 110.636 -179.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.4 ' HA ' HD21 ' A' ' 45' ' ' ASN . 1.8 m -73.45 -39.02 65.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.739 -179.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -73.03 -26.09 61.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.176 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -64.93 -47.65 76.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.381 -179.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.428 ' ND2' ' O ' ' A' ' 41' ' ' ARG . 9.6 p30 . . . . . 0 C--N 1.327 -0.375 0 CA-C-O 120.827 0.346 . . . . 0.0 110.988 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.844 0.354 . . . . 0.0 110.407 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -52.06 -51.04 60.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.453 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 82.6 p -84.1 -30.63 25.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.538 -179.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 tp -81.92 -5.47 58.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.705 0.288 . . . . 0.0 111.157 -179.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -70.32 -51.51 29.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.232 -179.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.497 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -94.56 -2.08 10.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.88 -179.537 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -53.12 -96.48 0.01 OUTLIER Glycine 0 CA--C 1.528 0.863 0 C-N-CA 121.14 -0.553 . . . . 0.0 111.884 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -39.27 -34.18 0.35 Allowed Glycine 0 CA--C 1.527 0.826 0 N-CA-C 111.917 -0.473 . . . . 0.0 111.917 -179.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.8 mp -58.9 -51.2 71.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.713 0.292 . . . . 0.0 111.555 -179.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 18' ' ' ILE . 87.2 t -68.51 -48.23 73.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.394 -179.098 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.5 mm -60.63 -46.03 96.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.717 0.294 . . . . 0.0 111.3 -179.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.53 -45.47 85.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.824 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.11 -37.57 91.85 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 91.2 mt -63.17 -42.73 97.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 121.075 -0.25 . . . . 0.0 111.351 -179.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 29.7 tp -61.51 -46.71 88.84 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.844 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -71.08 -36.56 72.28 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.01 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 25.3 mt -65.87 -44.13 92.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 179.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.4 tp -64.75 -34.25 77.9 Favored 'General case' 0 N--CA 1.435 -1.178 0 N-CA-C 104.892 -2.262 . . . . 0.0 104.892 176.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.453 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -59.72 -52.22 54.29 Favored Glycine 0 CA--C 1.53 1.029 0 CA-C-N 112.871 -1.968 . . . . 0.0 112.077 -179.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 84.9 mt -66.57 -44.24 90.16 Favored 'Isoleucine or valine' 0 C--O 1.232 0.152 0 CA-C-O 120.657 0.265 . . . . 0.0 110.841 -179.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.2 mt -62.19 -45.24 94.25 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 24.8 mt -60.61 -45.02 98.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.448 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 31' ' ' GLY . 42.3 t -56.73 -51.97 60.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.054 -178.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 73.3 mt -66.24 -32.14 73.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.877 0.37 . . . . 0.0 110.544 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 56.4 m -62.24 -35.59 79.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.223 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.6 mtt180 -57.27 -36.45 71.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.747 0.308 . . . . 0.0 110.713 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.0 tpt85 -60.87 -31.91 71.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.528 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 34.0 m -59.72 -38.91 82.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.972 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 90.2 mtt-85 -58.82 -46.7 87.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.939 0.399 . . . . 0.0 110.824 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -79.13 -30.81 43.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.582 -178.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -78.24 -28.26 47.81 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.989 -0.285 . . . . 0.0 111.61 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -65.56 -46.12 80.71 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.437 -179.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 17.0 m120 . . . . . 0 C--N 1.327 -0.373 0 CA-C-O 120.831 0.348 . . . . 0.0 110.852 -179.358 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.663 0.268 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -51.4 -50.77 58.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.564 -179.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.6 t -83.56 -33.32 25.46 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.517 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 tp -79.92 -3.53 48.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.217 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -72.96 -48.76 33.85 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.355 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.644 HG22 HG23 ' A' ' 22' ' ' VAL . 14.7 mm -95.09 -15.4 7.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.254 -179.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.426 ' O ' ' N ' ' A' ' 21' ' ' LEU . . . -47.18 -91.7 0.01 OUTLIER Glycine 0 CA--C 1.528 0.888 0 C-N-CA 121.083 -0.579 . . . . 0.0 111.886 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -35.3 -32.52 0.03 OUTLIER Glycine 0 CA--C 1.528 0.886 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 -179.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 19' ' ' GLY . 8.6 mp -69.05 -51.0 43.46 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -179.235 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.644 HG23 HG22 ' A' ' 18' ' ' ILE . 18.4 t -65.73 -50.12 73.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -178.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.566 HG23 ' N ' ' A' ' 24' ' ' ALA . 15.7 tt -57.83 -45.33 87.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.636 -179.38 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.566 ' N ' HG23 ' A' ' 23' ' ' ILE . . . -57.42 -36.37 71.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.024 0.44 . . . . 0.0 109.949 179.585 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.57 -43.22 99.31 Favored Glycine 0 CA--C 1.527 0.837 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.606 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 11.8 mm -62.55 -42.97 97.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.191 -179.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 27.8 tp -60.35 -48.09 83.26 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 120.673 -0.411 . . . . 0.0 111.547 -178.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -71.72 -36.71 70.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.031 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 32.7 mt -65.71 -45.79 90.92 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.2 tp -64.48 -34.44 78.23 Favored 'General case' 0 N--CA 1.437 -1.104 0 N-CA-C 105.093 -2.188 . . . . 0.0 105.093 176.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.599 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -58.35 -51.87 56.09 Favored Glycine 0 CA--C 1.532 1.104 0 CA-C-N 113.233 -1.803 . . . . 0.0 111.536 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.9 mt -66.85 -44.87 88.71 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.158 0 CA-C-O 120.75 0.309 . . . . 0.0 111.127 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.7 mp -60.56 -46.3 90.7 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 26.1 mt -60.61 -44.83 97.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.464 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 31' ' ' GLY . 74.2 t -57.1 -51.56 67.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.636 -179.378 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.3 mt -66.26 -34.2 77.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.709 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.461 ' O ' ' SG ' ' A' ' 40' ' ' CYS . 51.1 m -61.95 -35.92 79.88 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.242 -179.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.4 mmt-85 -57.87 -35.79 71.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.736 0.303 . . . . 0.0 110.797 -179.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -61.84 -27.59 68.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.559 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.586 ' SG ' ' N ' ' A' ' 41' ' ' ARG . 1.0 OUTLIER -62.08 -43.95 97.73 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.036 -179.473 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.586 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 36.9 ttm180 -57.94 -45.04 87.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.785 0.326 . . . . 0.0 110.769 -179.576 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 12.1 m -73.73 -34.56 64.83 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.799 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.7 mttm -77.99 -29.12 49.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.758 -179.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -65.76 -47.11 76.33 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.604 -0.439 . . . . 0.0 111.044 -179.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 . . . . . 0 C--N 1.328 -0.369 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.694 -179.835 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 . . . . . 0 N--CA 1.46 0.027 0 CA-C-O 120.877 0.37 . . . . 0.0 110.143 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -51.17 -52.02 48.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.358 -179.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 83.6 p -82.99 -30.75 27.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.766 0.317 . . . . 0.0 111.419 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 tp -82.13 -3.7 55.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.467 -179.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -74.95 -47.65 28.49 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.979 -0.289 . . . . 0.0 111.261 -179.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.778 HG22 HG23 ' A' ' 22' ' ' VAL . 12.8 mm -95.02 -16.97 7.22 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-O 120.705 0.288 . . . . 0.0 111.001 -179.342 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' A' ' 21' ' ' LEU . . . -44.69 -92.51 0.01 OUTLIER Glycine 0 CA--C 1.528 0.903 0 C-N-CA 121.123 -0.56 . . . . 0.0 111.71 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.482 ' HA2' HD11 ' A' ' 23' ' ' ILE . . . -35.45 -29.78 0.02 OUTLIER Glycine 0 CA--C 1.526 0.763 0 N-CA-C 112.101 -0.4 . . . . 0.0 112.101 -179.26 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 19' ' ' GLY . 6.5 mp -70.82 -48.64 53.0 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -179.249 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.778 HG23 HG22 ' A' ' 18' ' ' ILE . 47.7 t -68.33 -49.47 66.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -178.733 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.482 HD11 ' HA2' ' A' ' 20' ' ' GLY . 12.1 pt -64.2 -39.09 84.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 121.08 -0.248 . . . . 0.0 111.593 -179.095 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.63 -48.82 79.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.073 0.463 . . . . 0.0 110.695 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.84 -35.81 87.9 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 53.1 mt -62.71 -42.58 96.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.989 -0.284 . . . . 0.0 111.59 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.3 tp -63.49 -48.01 79.39 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 120.839 -0.344 . . . . 0.0 111.132 -179.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.529 ' N ' ' CD1' ' A' ' 28' ' ' PHE . 0.5 OUTLIER -69.46 -37.0 77.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.542 179.63 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 12.1 mt -61.69 -42.75 95.5 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.448 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 mt -64.42 -34.12 77.45 Favored 'General case' 0 N--CA 1.432 -1.356 0 N-CA-C 105.186 -2.153 . . . . 0.0 105.186 175.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.636 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -59.14 -52.2 54.73 Favored Glycine 0 CA--C 1.533 1.214 0 CA-C-N 113.434 -1.712 . . . . 0.0 112.023 -179.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 81.5 mt -64.17 -44.59 97.57 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 O-C-N 122.724 -0.28 . . . . 0.0 111.358 -179.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.3 mt -64.66 -45.92 84.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.137 0.494 . . . . 0.0 109.762 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 34.7 mt -60.46 -44.68 96.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.339 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 31' ' ' GLY . 54.7 t -56.49 -52.23 55.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.684 -179.17 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 83.1 mt -66.11 -31.55 72.47 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.712 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 48.7 m -60.53 -35.55 76.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.49 -179.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 16.6 mmm180 -57.49 -36.87 72.06 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 120.084 -0.646 . . . . 0.0 110.38 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 42.6 mtp180 -58.8 -32.77 69.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.538 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.428 ' O ' ' N ' ' A' ' 44' ' ' PHE . 4.0 t -58.7 -46.36 87.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.795 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.6 ttt180 -56.54 -45.16 81.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.716 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.8 m -76.32 -36.14 58.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.017 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 33.0 mttt -76.95 -24.59 52.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.687 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.526 ' CD2' ' OD1' ' A' ' 45' ' ' ASN . 71.6 t80 -65.77 -49.84 66.9 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.314 -0.554 . . . . 0.0 111.189 -178.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.526 ' OD1' ' CD2' ' A' ' 44' ' ' PHE . 17.2 p30 . . . . . 0 N--CA 1.48 1.06 0 O-C-N 124.662 1.226 . . . . 0.0 109.596 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 . . . . . 0 N--CA 1.459 -0.022 0 CA-C-O 120.687 0.279 . . . . 0.0 110.626 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -51.26 -51.71 51.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.364 -179.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 85.4 p -80.63 -34.87 34.66 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.654 -179.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -80.25 -3.27 48.51 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.472 -179.262 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -72.86 -45.57 57.63 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.277 -179.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.63 HG22 HG23 ' A' ' 22' ' ' VAL . 13.7 mm -97.56 -19.12 6.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.269 -179.025 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.491 ' O ' ' N ' ' A' ' 21' ' ' LEU . . . -43.71 -93.91 0.01 OUTLIER Glycine 0 CA--C 1.529 0.925 0 C-N-CA 120.99 -0.624 . . . . 0.0 111.648 -179.399 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.497 ' HA2' HD11 ' A' ' 23' ' ' ILE . . . -32.89 -31.9 0.01 OUTLIER Glycine 0 CA--C 1.527 0.781 0 O-C-N 123.676 0.28 . . . . 0.0 112.438 -179.228 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 19' ' ' GLY . 8.5 mp -70.8 -50.82 31.56 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -179.285 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.63 HG23 HG22 ' A' ' 18' ' ' ILE . 16.4 t -67.02 -50.75 61.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 C-N-CA 120.495 -0.482 . . . . 0.0 112.046 -178.502 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.497 HD11 ' HA2' ' A' ' 20' ' ' GLY . 11.5 pt -59.2 -39.56 79.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.564 -0.455 . . . . 0.0 110.611 -179.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.43 -37.54 81.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.211 0.529 . . . . 0.0 109.931 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.74 -40.62 98.69 Favored Glycine 0 CA--C 1.524 0.609 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.665 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.6 mm -63.73 -41.64 93.26 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-N 117.125 0.463 . . . . 0.0 111.12 -179.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 27.8 tp -61.3 -48.59 80.68 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.491 -0.484 . . . . 0.0 111.208 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -71.88 -36.64 70.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.515 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.6 mt -67.62 -43.85 86.6 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.256 0 CA-C-O 121.282 0.563 . . . . 0.0 109.511 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.8 tp -65.02 -34.71 79.09 Favored 'General case' 0 N--CA 1.434 -1.247 0 N-CA-C 105.395 -2.076 . . . . 0.0 105.395 176.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.756 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -60.4 -52.42 52.75 Favored Glycine 0 CA--C 1.532 1.152 0 CA-C-N 113.206 -1.815 . . . . 0.0 111.777 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 87.4 mt -63.13 -44.76 99.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 O-C-N 122.627 -0.337 . . . . 0.0 110.892 -179.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.7 mt -62.76 -45.06 94.43 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 18.1 mt -60.6 -44.96 97.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.376 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.756 HG23 ' O ' ' A' ' 31' ' ' GLY . 86.4 t -56.77 -52.03 59.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.817 -179.19 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.6 mp -65.96 -33.16 75.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.859 0.361 . . . . 0.0 110.736 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 55.2 m -61.21 -36.12 79.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.373 -179.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.76 -40.13 79.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.697 0.284 . . . . 0.0 110.9 -179.41 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 36.3 ttt180 -58.86 -31.18 68.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.055 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 5.1 t -58.42 -45.56 88.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.377 -179.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 59.5 ttp85 -56.33 -40.03 73.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.926 -179.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.43 -47.48 19.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.137 -179.447 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 36.6 mtpt -60.69 -35.21 75.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.646 -179.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -65.23 -47.88 75.26 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.1 0.408 . . . . 0.0 112.1 -178.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 . . . . . 0 C--N 1.326 -0.435 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.901 -179.553 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 . . . . . 0 N--CA 1.46 0.056 0 CA-C-O 120.63 0.253 . . . . 0.0 110.388 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 93.6 mm-40 -51.48 -52.11 49.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.497 -179.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 84.2 p -83.99 -31.26 25.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.602 -179.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.5 tp -81.24 -3.16 51.52 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.639 -179.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -74.57 -50.11 19.23 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.464 -179.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.613 HG22 HG23 ' A' ' 22' ' ' VAL . 13.5 mm -90.31 -22.57 6.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.813 0.339 . . . . 0.0 111.393 -179.138 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.491 ' O ' ' N ' ' A' ' 21' ' ' LEU . . . -39.65 -95.24 0.01 OUTLIER Glycine 0 CA--C 1.528 0.874 0 N-CA-C 111.898 -0.481 . . . . 0.0 111.898 -179.51 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.497 ' HA2' HD11 ' A' ' 23' ' ' ILE . . . -32.12 -32.26 0.01 OUTLIER Glycine 0 CA--C 1.526 0.774 0 CA-C-N 115.691 -0.255 . . . . 0.0 112.745 -179.217 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 19' ' ' GLY . 20.3 mt -71.51 -51.05 25.7 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.679 -179.038 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.613 HG23 HG22 ' A' ' 18' ' ' ILE . 10.6 t -65.59 -50.94 68.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 C-N-CA 120.591 -0.444 . . . . 0.0 111.976 -178.615 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.497 HD11 ' HA2' ' A' ' 20' ' ' GLY . 10.8 pt -59.09 -42.21 85.84 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.75 -179.422 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.24 -35.12 73.11 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.248 0.547 . . . . 0.0 109.978 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.57 -39.36 93.87 Favored Glycine 0 CA--C 1.526 0.755 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.84 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.3 mm -64.4 -44.6 97.13 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-N 117.205 0.503 . . . . 0.0 111.409 -178.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.1 tp -61.63 -47.85 83.52 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.118 -178.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.518 ' CZ ' HD11 ' A' ' 32' ' ' ILE . 57.6 t80 -70.23 -37.57 75.02 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.895 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 16.5 mt -63.56 -42.38 95.94 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.513 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 179.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.4 mt -64.61 -33.48 76.02 Favored 'General case' 0 N--CA 1.432 -1.342 0 N-CA-C 104.878 -2.267 . . . . 0.0 104.878 175.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.628 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -56.61 -50.57 62.25 Favored Glycine 0 CA--C 1.531 1.071 0 CA-C-N 113.825 -1.534 . . . . 0.0 111.462 -179.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.518 HD11 ' CZ ' ' A' ' 28' ' ' PHE . 33.3 mm -69.47 -44.75 79.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-N 116.929 0.365 . . . . 0.0 111.406 -179.434 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.4 mt -62.65 -47.43 83.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.035 0.445 . . . . 0.0 110.432 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 58.9 mt -60.38 -44.56 96.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.354 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 31' ' ' GLY . 43.6 t -56.41 -52.42 52.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.778 -179.072 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 78.6 mt -66.55 -33.07 74.86 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.776 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 51.1 m -61.89 -37.36 84.29 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.586 -179.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.9 ptt-85 -57.53 -31.57 66.21 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.641 -0.423 . . . . 0.0 110.452 -179.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.3 ttp180 -66.01 -31.58 72.55 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.403 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 50.0 m -57.59 -49.61 75.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.023 -179.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 33.1 ttp180 -55.02 -37.98 67.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.783 0.325 . . . . 0.0 110.541 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.2 m -72.45 -40.23 67.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.089 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 38.1 mtmt -77.98 -22.7 49.0 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -179.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.491 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 2.0 m-85 -64.54 -50.36 67.63 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.355 -0.538 . . . . 0.0 111.907 -177.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 44' ' ' PHE . 6.8 m-20 . . . . . 0 N--CA 1.471 0.621 0 CA-C-O 120.981 0.42 . . . . 0.0 110.332 179.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.416 ' O ' ' N ' ' A' ' 17' ' ' GLN . 28.6 m-85 . . . . . 0 CA--C 1.528 0.12 0 CA-C-O 120.812 0.339 . . . . 0.0 110.493 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -51.76 -50.68 60.18 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.476 -179.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 83.9 p -83.61 -30.45 26.92 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.514 -179.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 tp -81.73 -9.25 59.69 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.292 -179.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 13' ' ' TYR . 9.8 mm-40 -68.86 -49.28 59.66 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.332 -179.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.681 HG22 HG23 ' A' ' 22' ' ' VAL . 13.9 mm -96.37 -8.73 9.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.906 0.384 . . . . 0.0 111.103 -179.246 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.06 -84.69 0.03 OUTLIER Glycine 0 CA--C 1.528 0.899 0 C-N-CA 121.171 -0.538 . . . . 0.0 111.912 -179.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.471 ' HA2' HD11 ' A' ' 23' ' ' ILE . . . -41.05 -32.3 0.57 Allowed Glycine 0 CA--C 1.527 0.823 0 N-CA-C 112.262 -0.335 . . . . 0.0 112.262 -178.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.3 mp -68.95 -51.19 42.28 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -178.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.681 HG23 HG22 ' A' ' 18' ' ' ILE . 85.6 t -63.0 -49.94 81.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -178.403 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.471 HD11 ' HA2' ' A' ' 20' ' ' GLY . 10.8 pt -60.23 -42.22 89.63 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 C-N-CA 120.601 -0.439 . . . . 0.0 111.198 -179.065 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.24 -34.94 72.82 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.501 -0.48 . . . . 0.0 109.813 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.62 -39.9 95.67 Favored Glycine 0 CA--C 1.528 0.873 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.779 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.408 HG22 HD12 ' A' ' 30' ' ' LEU . 14.7 mm -64.86 -44.38 96.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.277 -0.569 . . . . 0.0 111.509 -179.116 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.4 tp -61.09 -47.84 84.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.925 0.393 . . . . 0.0 111.237 -178.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.46 ' CZ ' HD11 ' A' ' 32' ' ' ILE . 54.9 t80 -70.96 -37.47 72.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.022 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 21.6 mt -63.53 -43.92 98.5 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.509 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 179.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.408 HD12 HG22 ' A' ' 26' ' ' ILE . 4.0 mt -64.14 -32.99 74.76 Favored 'General case' 0 N--CA 1.432 -1.347 0 N-CA-C 104.558 -2.386 . . . . 0.0 104.558 175.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.552 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -56.18 -50.86 59.46 Favored Glycine 0 CA--C 1.531 1.042 0 CA-C-N 113.476 -1.693 . . . . 0.0 111.153 -179.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.46 HD11 ' CZ ' ' A' ' 28' ' ' PHE . 28.9 mm -70.49 -44.75 76.8 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 116.949 0.374 . . . . 0.0 111.315 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.6 mp -60.95 -48.21 82.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.143 0.497 . . . . 0.0 110.779 -179.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 66.4 mt -60.55 -44.44 96.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.356 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 31' ' ' GLY . 40.4 t -56.62 -51.06 70.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.474 -179.453 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.6 tp -66.2 -32.42 73.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.466 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.494 ' O ' ' SG ' ' A' ' 40' ' ' CYS . 11.3 t -62.63 -35.9 81.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.477 -179.632 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 10.9 mmt180 -57.63 -35.87 71.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.198 -179.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.4 mmt85 -63.23 -30.79 71.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.783 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.577 ' SG ' ' N ' ' A' ' 41' ' ' ARG . 1.4 p -58.17 -40.53 81.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.311 -179.457 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.577 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 61.5 ttp85 -61.91 -45.68 92.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.3 -179.376 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.41 -32.74 54.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.402 -179.363 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.1 mmmt -75.22 -33.51 61.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.612 -179.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -66.38 -46.99 74.79 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.608 -179.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.417 0 CA-C-O 120.804 0.335 . . . . 0.0 110.678 -179.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 . . . . . 0 C--O 1.226 -0.173 0 CA-C-O 120.576 0.227 . . . . 0.0 110.555 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -51.4 -49.97 60.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.553 -179.045 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 83.5 p -84.12 -31.28 25.32 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -179.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 tp -79.02 -3.15 43.71 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -178.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.83 -52.22 13.77 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.436 -179.343 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.706 HG22 HG23 ' A' ' 22' ' ' VAL . 8.0 mm -89.85 -16.39 8.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.858 0.361 . . . . 0.0 111.107 -178.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.495 ' O ' ' N ' ' A' ' 21' ' ' LEU . . . -44.67 -94.9 0.01 OUTLIER Glycine 0 CA--C 1.527 0.807 0 N-CA-C 111.645 -0.582 . . . . 0.0 111.645 -179.615 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.51 ' HA2' HD11 ' A' ' 23' ' ' ILE . . . -34.93 -29.19 0.01 OUTLIER Glycine 0 CA--C 1.525 0.715 0 N-CA-C 112.321 -0.312 . . . . 0.0 112.321 -179.323 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 19' ' ' GLY . 8.5 mp -72.15 -48.65 41.88 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -179.112 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.706 HG23 HG22 ' A' ' 18' ' ' ILE . 13.3 t -68.36 -50.12 60.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.948 -178.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.51 HD11 ' HA2' ' A' ' 20' ' ' GLY . 13.0 pt -61.82 -38.78 81.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.949 -179.285 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.89 -42.46 99.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.938 0.399 . . . . 0.0 110.919 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.09 -37.64 94.86 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.556 -0.617 . . . . 0.0 111.556 -179.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.86 -43.54 97.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 C-N-CA 120.889 -0.324 . . . . 0.0 111.341 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 36.6 tp -61.87 -47.25 85.84 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.638 -179.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.408 ' O ' ' N ' ' A' ' 31' ' ' GLY . 6.5 m-85 -67.23 -43.76 81.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.474 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 30.1 mt -58.84 -41.1 81.8 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.381 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 179.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.2 mt -65.02 -34.22 77.91 Favored 'General case' 0 N--CA 1.433 -1.29 0 N-CA-C 104.87 -2.271 . . . . 0.0 104.87 175.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.723 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -58.15 -52.33 53.14 Favored Glycine 0 CA--C 1.534 1.227 0 CA-C-N 113.355 -1.748 . . . . 0.0 112.003 -179.576 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.9 mm -66.72 -44.63 89.38 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 O-C-N 122.562 -0.376 . . . . 0.0 111.07 -179.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.8 mt -63.13 -46.57 86.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.927 0.394 . . . . 0.0 110.057 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.7 mt -60.59 -46.15 96.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.375 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 31' ' ' GLY . 77.8 t -56.78 -52.24 57.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 C-N-CA 120.776 -0.369 . . . . 0.0 110.871 -179.289 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.6 mp -66.05 -34.85 79.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.603 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 65.1 m -61.02 -35.87 78.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.844 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.5 mmt-85 -57.42 -41.81 81.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.456 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.7 ttt85 -57.19 -28.43 62.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.054 179.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.7 t -61.0 -46.2 91.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.896 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 69.2 mtp180 -54.83 -40.03 69.16 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.82 0.343 . . . . 0.0 110.855 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.29 -38.97 55.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.885 -179.685 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 50.8 mmtt -73.37 -27.81 61.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.994 -179.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -64.99 -48.12 75.11 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.82 -178.555 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.647 -179.924 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 . . . . . 0 N--CA 1.457 -0.119 0 CA-C-O 120.867 0.365 . . . . 0.0 110.264 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -51.54 -51.97 50.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.491 -179.014 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 79.9 p -82.41 -34.99 28.06 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -178.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.0 tp -77.41 -9.08 58.66 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.972 -0.291 . . . . 0.0 111.518 -178.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -67.59 -51.17 53.51 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.974 -0.291 . . . . 0.0 111.421 -179.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.706 HG22 HG23 ' A' ' 22' ' ' VAL . 15.3 mm -94.68 -10.37 9.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.87 0.367 . . . . 0.0 111.009 -179.061 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -51.22 -81.36 0.05 OUTLIER Glycine 0 CA--C 1.529 0.926 0 N-CA-C 111.832 -0.507 . . . . 0.0 111.832 -179.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.421 ' HA2' HD11 ' A' ' 23' ' ' ILE . . . -44.41 -29.65 1.82 Allowed Glycine 0 CA--C 1.528 0.851 0 C-N-CA 121.761 -0.257 . . . . 0.0 112.521 -178.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.8 mp -71.77 -47.33 54.29 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -178.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.706 HG23 HG22 ' A' ' 18' ' ' ILE . 42.1 t -66.19 -49.2 77.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -178.51 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.421 HD11 ' HA2' ' A' ' 20' ' ' GLY . 6.1 pt -64.43 -43.95 97.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.525 -179.024 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.22 -45.58 87.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.931 0.396 . . . . 0.0 110.507 -179.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.59 -40.68 96.69 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 80.1 mt -60.23 -42.31 89.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 111.56 0.207 . . . . 0.0 111.56 -179.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 31.7 tp -61.64 -47.21 86.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.784 0.325 . . . . 0.0 110.729 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -70.98 -36.54 72.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.167 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 7.4 mm -66.88 -43.67 89.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.8 tp -65.18 -34.72 79.06 Favored 'General case' 0 N--CA 1.436 -1.165 0 N-CA-C 105.093 -2.188 . . . . 0.0 105.093 176.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.54 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -58.93 -51.82 56.96 Favored Glycine 0 CA--C 1.529 0.924 0 CA-C-N 112.608 -2.087 . . . . 0.0 112.06 -179.561 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 72.3 mt -68.19 -45.21 83.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 C-N-CA 121.046 -0.262 . . . . 0.0 110.914 -179.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 33' ' ' LEU . 92.3 mt -58.42 -46.43 86.5 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.379 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 29.5 mt -60.41 -42.79 92.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.405 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 31' ' ' GLY . 42.3 t -57.14 -52.62 53.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.493 -178.69 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.4 mp -66.59 -33.81 76.49 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.164 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.493 ' O ' ' SG ' ' A' ' 40' ' ' CYS . 44.4 m -60.63 -35.71 76.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.133 -179.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.9 mmt85 -57.54 -33.82 68.51 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.754 -179.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -65.61 -30.49 71.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.677 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.574 ' SG ' ' N ' ' A' ' 41' ' ' ARG . 1.3 p -57.9 -40.92 81.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 -179.659 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.574 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 10.6 ttm-85 -62.1 -43.87 97.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.802 0.334 . . . . 0.0 110.795 -179.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.2 m -78.28 -32.58 49.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 -179.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.0 mmtt -77.34 -30.21 53.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.379 -179.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -66.03 -47.54 74.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.537 -179.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 45.1 t-20 . . . . . 0 C--N 1.328 -0.354 0 CA-C-O 120.852 0.358 . . . . 0.0 110.592 -179.562 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 . . . . . 0 CA--C 1.528 0.125 0 CA-C-O 120.825 0.345 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -54.05 -46.35 71.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.551 -179.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.3 m -84.43 -35.89 22.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.412 -179.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.9 tp -76.66 -15.77 59.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.521 -179.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -60.99 -46.03 92.4 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.292 -179.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.458 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.4 OUTLIER -105.28 7.89 9.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.101 -179.586 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.47 -64.15 3.08 Favored Glycine 0 CA--C 1.527 0.8 0 C-N-CA 120.73 -0.748 . . . . 0.0 111.286 -179.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.91 -35.44 86.91 Favored Glycine 0 CA--C 1.53 0.974 0 C-N-CA 121.231 -0.509 . . . . 0.0 112.478 -178.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.425 HD12 ' N ' ' A' ' 21' ' ' LEU . 10.3 mp -64.99 -47.68 76.67 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 -178.456 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 18' ' ' ILE . 94.7 t -66.5 -44.56 90.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -178.271 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.0 pt -69.65 -46.59 74.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 C-N-CA 120.463 -0.495 . . . . 0.0 112.131 -178.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.87 -41.63 82.85 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.084 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.67 -41.99 99.68 Favored Glycine 0 CA--C 1.526 0.781 0 N-CA-C 111.395 -0.682 . . . . 0.0 111.395 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.3 tt -62.33 -36.33 74.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.563 -178.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 34.7 tp -64.94 -47.26 78.3 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.434 -0.507 . . . . 0.0 110.176 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -67.96 -36.41 80.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.337 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.6 tt -66.15 -40.72 87.82 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.416 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.1 mt -64.84 -33.97 77.25 Favored 'General case' 0 N--CA 1.431 -1.376 0 N-CA-C 104.382 -2.451 . . . . 0.0 104.382 174.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.472 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -57.76 -50.42 65.74 Favored Glycine 0 CA--C 1.528 0.844 0 CA-C-N 113.565 -1.652 . . . . 0.0 111.652 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 74.1 mt -70.48 -44.42 77.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.643 0.259 . . . . 0.0 111.423 -179.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.49 -46.23 87.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.899 0.38 . . . . 0.0 110.404 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 54.8 mt -60.57 -43.75 95.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.482 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 31' ' ' GLY . 31.1 t -56.95 -51.06 73.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.896 -179.28 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.0 mt -66.5 -32.82 74.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.924 0.392 . . . . 0.0 110.605 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 50.3 m -62.47 -35.15 78.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.21 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.06 -35.75 69.71 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.481 -179.438 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.2 mtm180 -65.17 -28.38 69.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.672 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.58 ' SG ' ' N ' ' A' ' 41' ' ' ARG . 0.5 OUTLIER -61.64 -40.85 96.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.263 -179.5 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.58 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 75.1 ttt180 -63.51 -48.6 76.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.77 0.319 . . . . 0.0 111.022 -179.698 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.3 m -72.28 -34.38 68.14 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.936 -179.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -78.29 -26.71 47.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.623 -179.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -68.12 -27.25 66.29 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.963 -0.295 . . . . 0.0 111.418 -178.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.354 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.593 -179.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.419 ' O ' ' N ' ' A' ' 17' ' ' GLN . 22.9 m-85 . . . . . 0 N--CA 1.458 -0.03 0 CA-C-O 120.834 0.35 . . . . 0.0 110.248 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 89.1 mm-40 -51.48 -50.75 59.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.418 -179.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 82.5 p -83.28 -32.23 26.49 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.996 -0.282 . . . . 0.0 111.325 -179.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.0 tp -80.74 -6.83 59.0 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.184 -179.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 13' ' ' TYR . 6.4 mm-40 -68.95 -50.52 48.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.52 -179.491 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.644 HG22 HG23 ' A' ' 22' ' ' VAL . 2.3 mt -96.83 -5.52 9.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.587 -0.278 . . . . 0.0 111.597 -178.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.7 -81.68 0.06 OUTLIER Glycine 0 CA--C 1.528 0.894 0 N-CA-C 111.747 -0.541 . . . . 0.0 111.747 -179.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.473 ' HA2' HD11 ' A' ' 23' ' ' ILE . . . -44.38 -32.35 2.67 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 112.191 -0.364 . . . . 0.0 112.191 -178.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 21.4 mt -69.26 -46.32 67.57 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -178.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.644 HG23 HG22 ' A' ' 18' ' ' ILE . 54.7 t -68.34 -49.23 68.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -178.413 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.473 HD11 ' HA2' ' A' ' 20' ' ' GLY . 6.2 pt -63.99 -41.34 92.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 C-N-CA 120.803 -0.359 . . . . 0.0 111.424 -179.006 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.46 -43.82 96.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.865 0.364 . . . . 0.0 110.713 -179.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.68 -37.48 94.31 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 82.9 mt -62.01 -43.09 97.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 121.036 -0.266 . . . . 0.0 111.28 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 tt -61.19 -47.22 87.13 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.006 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -70.36 -38.85 74.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.03 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 18.6 mt -59.69 -45.43 94.42 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.493 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.2 mt -64.08 -33.22 75.26 Favored 'General case' 0 N--CA 1.431 -1.389 0 N-CA-C 104.377 -2.453 . . . . 0.0 104.377 175.277 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.763 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -55.91 -52.31 49.66 Favored Glycine 0 CA--C 1.534 1.261 0 CA-C-N 113.841 -1.527 . . . . 0.0 111.8 -179.555 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 12.6 mm -70.49 -44.97 76.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 117.265 0.532 . . . . 0.0 111.54 -179.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 97.0 mt -60.14 -47.08 87.41 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.924 0.393 . . . . 0.0 110.118 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 58.0 mt -60.54 -46.43 95.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.591 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 31' ' ' GLY . 96.5 t -56.8 -52.07 59.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 120.697 -0.401 . . . . 0.0 111.004 -179.228 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.9 mp -65.4 -33.36 75.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.808 0.337 . . . . 0.0 110.471 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 68.8 m -61.6 -36.06 79.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.333 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.436 ' NH1' ' NH2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -57.92 -34.24 69.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.956 -179.468 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 75.5 mtp85 -63.35 -29.92 71.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.782 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 60.5 m -59.18 -45.26 91.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.212 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.436 ' NH2' ' NH1' ' A' ' 38' ' ' ARG . 40.5 ttp180 -58.17 -42.64 86.46 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.878 0.371 . . . . 0.0 110.834 -179.7 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.6 m -75.87 -34.67 60.03 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.685 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -77.94 -28.81 49.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.598 -179.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.413 ' CD1' ' C ' ' A' ' 44' ' ' PHE . 24.8 t80 -65.77 -47.46 75.12 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.619 -178.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.421 ' OD1' ' O ' ' A' ' 41' ' ' ARG . 5.4 p30 . . . . . 0 C--N 1.327 -0.376 0 CA-C-O 120.808 0.337 . . . . 0.0 110.808 -179.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 . . . . . 0 N--CA 1.46 0.068 0 CA-C-O 120.809 0.338 . . . . 0.0 110.432 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 46.0 mm-40 -51.93 -51.47 56.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.508 -179.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 83.6 p -83.14 -32.88 26.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.78 0.324 . . . . 0.0 111.533 -179.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.8 tp -79.77 -7.9 58.93 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.46 -178.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -68.58 -52.87 26.98 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.921 -0.312 . . . . 0.0 111.057 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.453 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -94.12 -2.0 10.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.058 -179.427 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -53.58 -99.59 0.01 OUTLIER Glycine 0 CA--C 1.529 0.91 0 N-CA-C 111.823 -0.511 . . . . 0.0 111.823 -179.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -38.84 -35.08 0.32 Allowed Glycine 0 CA--C 1.527 0.827 0 N-CA-C 112.199 -0.361 . . . . 0.0 112.199 -179.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.0 mp -57.61 -51.23 70.34 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.629 -0.429 . . . . 0.0 110.922 -179.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 18' ' ' ILE . 73.2 t -67.42 -49.39 71.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.3 -179.454 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.3 mm -56.8 -46.27 83.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.883 -179.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.8 -38.07 74.87 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.537 -0.465 . . . . 0.0 109.768 179.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.0 -42.24 96.81 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.486 -0.645 . . . . 0.0 111.486 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.6 mm -64.52 -44.6 96.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 C-N-CA 120.546 -0.462 . . . . 0.0 111.49 -179.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 24.8 tp -57.11 -47.19 81.69 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.565 -0.454 . . . . 0.0 111.387 -178.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -71.63 -36.76 70.86 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.35 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 34.9 mt -65.25 -45.83 92.49 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.326 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.8 tp -64.68 -34.39 78.18 Favored 'General case' 0 N--CA 1.437 -1.094 0 N-CA-C 104.746 -2.316 . . . . 0.0 104.746 176.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.664 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -56.92 -49.96 67.47 Favored Glycine 0 CA--C 1.532 1.096 0 CA-C-N 113.363 -1.744 . . . . 0.0 111.203 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 75.8 mt -70.35 -44.95 77.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.638 0.256 . . . . 0.0 111.391 -179.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.33 -46.35 90.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.076 0.465 . . . . 0.0 109.877 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.4 mt -59.97 -46.11 94.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.414 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 31' ' ' GLY . 56.0 t -56.81 -52.26 57.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.851 -179.109 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 79.4 mt -66.25 -33.88 76.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.531 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.498 ' O ' ' SG ' ' A' ' 40' ' ' CYS . 59.7 m -61.91 -35.28 77.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.278 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.7 mmt180 -56.86 -31.84 65.21 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.618 -179.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.733 HH12 ' HZ2' ' A' ' 43' ' ' LYS . 19.6 mtp-105 -67.13 -31.73 72.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.642 179.763 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.516 ' SG ' ' N ' ' A' ' 41' ' ' ARG . 1.7 p -57.93 -38.17 75.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.488 -179.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.516 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 37.1 ttp180 -63.45 -43.92 96.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.624 0.25 . . . . 0.0 111.306 -179.586 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 21.7 m -75.12 -38.97 60.93 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.284 -179.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.733 ' HZ2' HH12 ' A' ' 39' ' ' ARG . 39.7 mtmt -72.85 -23.13 60.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.808 -179.2 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.478 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 49.5 t80 -67.53 -48.72 66.2 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.351 -0.54 . . . . 0.0 112.187 -178.406 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.478 ' CB ' ' O ' ' A' ' 44' ' ' PHE . 0.8 OUTLIER . . . . . 0 N--CA 1.475 0.795 0 O-C-N 123.724 0.64 . . . . 0.0 110.054 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.457 ' O ' ' N ' ' A' ' 17' ' ' GLN . 53.0 m-85 . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.638 0.256 . . . . 0.0 110.506 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -51.43 -52.36 46.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.771 -179.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 93.3 p -83.13 -32.19 26.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.795 0.331 . . . . 0.0 110.973 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 tp -79.69 -3.06 45.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.002 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 13' ' ' TYR . 18.2 tt0 -76.89 -42.51 39.51 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.439 -179.338 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.424 ' O ' ' O ' ' A' ' 19' ' ' GLY . 0.3 OUTLIER -102.99 -16.65 7.41 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 CA-C-O 120.772 0.32 . . . . 0.0 111.146 -178.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.52 ' O ' ' N ' ' A' ' 21' ' ' LEU . . . -42.29 -98.03 0.01 OUTLIER Glycine 0 CA--C 1.527 0.788 0 C-N-CA 121.257 -0.497 . . . . 0.0 111.922 -179.114 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -35.58 -26.92 0.01 OUTLIER Glycine 0 CA--C 1.525 0.706 0 N-CA-C 112.226 -0.35 . . . . 0.0 112.226 -179.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.52 ' N ' ' O ' ' A' ' 19' ' ' GLY . 2.9 mp -68.6 -51.46 42.17 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.105 -179.688 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.414 HG23 HD12 ' A' ' 18' ' ' ILE . 14.4 t -68.4 -49.76 63.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.196 -179.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 36.7 mm -55.45 -45.05 78.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-O 120.913 0.387 . . . . 0.0 110.367 -179.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.67 -37.68 76.55 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.885 179.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.94 -37.92 95.33 Favored Glycine 0 CA--C 1.528 0.874 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.046 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 12.6 mm -66.87 -44.65 88.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 C-N-CA 120.317 -0.553 . . . . 0.0 111.519 -179.089 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 34.2 tp -60.69 -47.87 84.35 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 120.82 0.343 . . . . 0.0 111.37 -178.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -69.55 -38.06 77.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.79 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.9 mt -60.73 -43.69 95.68 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.704 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 mp -63.85 -33.44 75.69 Favored 'General case' 0 N--CA 1.432 -1.372 0 N-CA-C 104.914 -2.254 . . . . 0.0 104.914 175.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.555 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -56.19 -50.64 60.84 Favored Glycine 0 CA--C 1.531 1.053 0 CA-C-N 114.223 -1.353 . . . . 0.0 111.559 -179.535 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.8 mm -70.12 -44.48 78.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.951 0.375 . . . . 0.0 111.576 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.4 mt -63.65 -47.92 79.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.057 0.456 . . . . 0.0 110.736 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 72.6 mt -60.37 -44.82 96.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.615 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 31' ' ' GLY . 40.5 t -56.44 -52.2 55.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.546 -179.217 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 83.0 mt -66.27 -31.85 72.91 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.346 179.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.1 t -61.46 -37.04 82.15 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.144 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.9 mtt85 -57.76 -40.1 78.97 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.644 -179.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 71.7 mtt85 -57.53 -28.35 63.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.6 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 30.8 m -61.03 -49.27 78.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.048 -179.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.8 mtm180 -54.8 -38.84 67.8 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.808 -179.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.3 m -77.03 -38.02 53.7 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.706 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -76.09 -27.68 57.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.455 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -65.25 -48.44 73.24 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.779 -0.368 . . . . 0.0 111.652 -178.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 . . . . . 0 C--N 1.326 -0.454 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.685 -179.885 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 . . . . . 0 C--O 1.227 -0.092 0 CA-C-O 120.513 0.197 . . . . 0.0 110.77 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -51.08 -46.48 61.77 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.769 -178.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 74.5 p -83.91 -32.39 25.16 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -178.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.1 tp -79.17 -12.0 59.98 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -178.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -64.25 -52.46 58.58 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.543 -0.463 . . . . 0.0 111.143 -179.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.73 HG22 HG23 ' A' ' 22' ' ' VAL . 10.7 mm -93.24 -11.8 9.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.969 0.414 . . . . 0.0 110.948 -179.51 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -43.48 -96.91 0.01 OUTLIER Glycine 0 CA--C 1.531 1.056 0 C-N-CA 121.398 -0.43 . . . . 0.0 112.254 -179.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -39.69 -37.14 0.84 Allowed Glycine 0 CA--C 1.528 0.896 0 N-CA-C 112.632 -0.187 . . . . 0.0 112.632 -178.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.1 mp -54.74 -50.71 67.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 117.117 0.458 . . . . 0.0 111.012 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.73 HG23 HG22 ' A' ' 18' ' ' ILE . 58.9 t -67.5 -49.07 74.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.421 -179.455 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.3 mm -56.86 -46.26 83.53 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.167 0 CA-C-O 120.889 0.376 . . . . 0.0 110.778 -179.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.36 -34.99 76.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.982 0.42 . . . . 0.0 110.293 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.75 -41.45 97.61 Favored Glycine 0 CA--C 1.526 0.735 0 CA-C-N 115.793 -0.639 . . . . 0.0 112.296 -179.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.519 HG23 ' O ' ' A' ' 22' ' ' VAL . 0.2 OUTLIER -69.37 -38.93 78.22 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 CA-C-N 117.543 0.671 . . . . 0.0 112.125 -178.489 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.2 tt -64.46 -47.7 78.03 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.036 0.446 . . . . 0.0 111.332 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.511 ' CE2' HD11 ' A' ' 32' ' ' ILE . 88.3 t80 -71.48 -37.27 71.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.109 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 12.1 mt -61.3 -47.17 94.71 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.794 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 178.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.4 mt -59.76 -33.44 71.67 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 105.09 -2.189 . . . . 0.0 105.09 175.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.571 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -56.34 -48.86 72.31 Favored Glycine 0 CA--C 1.53 1.017 0 CA-C-N 114.285 -1.325 . . . . 0.0 111.219 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.511 HD11 ' CE2' ' A' ' 28' ' ' PHE . 87.5 mt -70.39 -45.03 76.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -179.482 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.0 mt -63.73 -44.84 92.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.172 0.511 . . . . 0.0 110.286 -179.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 48.9 mt -60.29 -46.23 95.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.476 -179.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 31' ' ' GLY . 52.9 t -56.69 -52.0 59.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.796 -179.086 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 78.1 mt -66.23 -33.0 74.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.599 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 52.3 m -64.28 -35.82 82.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.163 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -57.34 -33.0 67.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.641 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 23.4 ttt180 -64.96 -29.38 70.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.674 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 48.5 m -59.08 -48.36 81.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.529 -179.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 49.6 ttm-85 -55.23 -43.06 74.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.033 -179.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -78.97 -31.87 45.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.092 -179.358 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.6 mmtm -78.58 -28.01 45.75 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.46 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 2.5 m-85 -65.75 -49.84 66.92 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.37 -0.532 . . . . 0.0 112.101 -178.116 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 44' ' ' PHE . 11.7 m-20 . . . . . 0 N--CA 1.478 0.951 0 O-C-N 123.889 0.743 . . . . 0.0 110.165 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.8 m -132.76 58.71 37.84 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.699 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -70.9 -18.44 31.63 Favored 'Trans proline' 0 C--N 1.307 -1.652 0 C-N-CA 122.663 2.242 . . . . 0.0 112.046 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -74.64 -30.78 61.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.545 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.6 tp10 -55.97 -34.81 66.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.464 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -62.95 -37.34 86.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.05 161.16 64.01 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.66 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.422 ' O ' ' O ' ' A' ' 11' ' ' TYR . 46.5 Cg_endo -70.74 -13.67 32.39 Favored 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 122.495 2.13 . . . . 0.0 112.183 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -48.7 -42.53 35.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.747 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 97.0 m -65.19 -26.75 68.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.852 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.422 ' O ' ' O ' ' A' ' 8' ' ' PRO . 96.8 m-85 -102.99 137.02 41.74 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.955 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 54.7 p30 -85.23 -0.3 54.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.275 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -84.29 32.13 0.5 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.61 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -51.46 -48.24 62.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 82.4 p -84.52 -32.36 23.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 112.025 -179.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 tp -80.69 -4.05 52.93 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -178.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -73.75 -47.09 41.75 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.62 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.647 HG22 HG23 ' A' ' 22' ' ' VAL . 13.9 mm -95.96 -27.38 4.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 120.674 0.273 . . . . 0.0 111.396 -179.154 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -37.51 -81.88 0.02 OUTLIER Glycine 0 CA--C 1.528 0.896 0 CA-C-N 116.168 -0.469 . . . . 0.0 112.128 -179.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.462 ' HA2' HD11 ' A' ' 23' ' ' ILE . . . -42.36 -37.84 2.62 Favored Glycine 0 CA--C 1.529 0.913 0 N-CA-C 112.22 -0.352 . . . . 0.0 112.22 -179.016 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.7 mt -65.44 -44.2 88.07 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -178.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.647 HG23 HG22 ' A' ' 18' ' ' ILE . 18.3 t -68.32 -49.28 68.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -178.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.462 HD11 ' HA2' ' A' ' 20' ' ' GLY . 8.3 pt -65.0 -41.77 92.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 120.976 -0.29 . . . . 0.0 111.517 -178.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.14 -45.07 94.28 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.193 0.52 . . . . 0.0 110.224 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.92 -36.2 93.1 Favored Glycine 0 CA--C 1.525 0.665 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.61 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -65.65 -36.05 76.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.415 -0.514 . . . . 0.0 110.867 -179.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.7 tp -64.87 -47.37 78.11 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.48 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -71.13 -36.39 72.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.465 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 30.6 mt -65.19 -44.99 95.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 179.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.6 tp -64.77 -34.28 77.98 Favored 'General case' 0 N--CA 1.436 -1.161 0 N-CA-C 105.27 -2.122 . . . . 0.0 105.27 176.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.511 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -59.5 -52.35 53.62 Favored Glycine 0 CA--C 1.531 1.034 0 CA-C-N 113.15 -1.841 . . . . 0.0 111.544 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 87.7 mt -63.96 -44.59 97.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.608 0.242 . . . . 0.0 111.161 -179.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.4 mt -63.62 -44.27 94.41 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 23.5 mt -61.03 -45.75 97.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.247 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 31' ' ' GLY . 49.3 t -57.05 -52.16 59.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.108 -179.068 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 76.8 mt -66.36 -32.28 73.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.636 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.446 ' O ' ' SG ' ' A' ' 40' ' ' CYS . 73.6 m -61.26 -35.84 78.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.563 -179.374 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -57.2 -34.15 68.24 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.572 -179.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 44.7 mmt-85 -63.34 -31.25 72.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.458 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.58 ' SG ' ' N ' ' A' ' 41' ' ' ARG . 0.8 OUTLIER -59.57 -39.27 83.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.704 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.58 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 76.6 mtt-85 -62.58 -45.47 92.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.053 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 7.8 m -79.0 -33.55 44.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.055 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -72.94 -30.28 63.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.379 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.497 ' CE2' ' CG2' ' A' ' 59' ' ' THR . 6.9 t80 -65.59 -47.25 76.38 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.049 0.388 . . . . 0.0 112.049 -178.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -76.41 108.59 9.49 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.574 -0.45 . . . . 0.0 111.011 -179.306 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.414 ' O ' ' O ' ' A' ' 49' ' ' ARG . 56.2 tt0 -58.51 -31.5 67.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.978 179.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -62.0 -40.18 94.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.49 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -70.67 -45.55 64.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.722 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.414 ' O ' ' O ' ' A' ' 46' ' ' GLN . 15.9 mmt85 -133.79 149.79 51.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.769 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 36.6 m -57.57 -33.4 68.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.637 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -50.45 148.11 7.4 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.62 157.56 35.11 Favored Pre-proline 0 C--N 1.328 -0.329 0 N-CA-C 110.351 -0.24 . . . . 0.0 110.351 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -36.76 151.06 0.04 OUTLIER 'Trans proline' 0 C--N 1.313 -1.317 0 C-N-CA 122.577 2.185 . . . . 0.0 112.27 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.454 ' C ' ' H ' ' A' ' 56' ' ' GLU . 0.8 OUTLIER -164.49 169.67 16.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.693 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.496 ' C ' ' H ' ' A' ' 57' ' ' GLU . 3.5 tp10 68.17 -6.56 0.74 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.6 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.454 ' H ' ' C ' ' A' ' 54' ' ' ASP . 86.3 mt-10 56.83 4.19 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.451 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.496 ' H ' ' C ' ' A' ' 55' ' ' GLU . 93.8 mt-10 -74.11 -65.65 0.82 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.342 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.46 ' C ' ' H ' ' A' ' 60' ' ' PHE . . . 72.69 -157.23 52.49 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.497 ' CG2' ' CE2' ' A' ' 44' ' ' PHE . 5.2 p -73.57 41.12 0.11 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.923 0.392 . . . . 0.0 110.017 179.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.46 ' H ' ' C ' ' A' ' 58' ' ' GLY . 81.4 t80 -68.7 -44.27 74.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.878 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 85.8 mtt-85 -60.52 -32.13 71.17 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.465 -0.788 . . . . 0.0 109.565 178.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.8 m -60.67 -32.9 72.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.326 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 p -63.75 -28.92 70.21 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 29.6 mt -68.18 -32.97 58.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.246 179.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 64.1 mtm180 -57.87 -30.89 66.18 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.502 ' O ' ' N ' ' A' ' 70' ' ' ARG . 69.8 mtm180 -55.82 -34.32 65.26 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 178.217 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.9 tp -56.34 -22.73 32.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.898 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 85.3 p -72.0 -48.1 47.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.779 -179.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 77.6 p -106.15 -39.55 5.92 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.805 0.336 . . . . 0.0 111.165 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 66' ' ' ARG . 83.2 mtp180 55.26 -126.4 2.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.113 -0.494 . . . . 0.0 112.006 179.419 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 70.4 ttt-85 -53.66 141.65 25.53 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 121.105 0.478 . . . . 0.0 111.65 -178.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 61.4 ttt180 . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.547 179.685 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.55 162.5 55.8 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.422 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -70.04 -22.15 31.2 Favored 'Trans proline' 0 C--N 1.309 -1.544 0 C-N-CA 122.596 2.197 . . . . 0.0 112.188 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 28.9 mmtm -74.84 -21.1 59.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.65 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -99.09 151.57 20.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.612 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -110.39 148.77 31.34 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.424 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -130.56 161.43 60.86 Favored Pre-proline 0 CA--C 1.529 0.145 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.472 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' A' ' 11' ' ' TYR . 44.6 Cg_endo -70.3 -7.29 20.88 Favored 'Trans proline' 0 N--CA 1.492 1.438 0 C-N-CA 122.58 2.187 . . . . 0.0 112.221 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -48.42 -33.03 8.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.617 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 33.5 m -50.1 -41.02 47.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.644 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.41 ' O ' ' O ' ' A' ' 8' ' ' PRO . 68.1 m-85 -128.96 138.65 52.1 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.501 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -109.35 90.65 3.36 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.669 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -92.93 30.96 1.48 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.372 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -51.98 -49.79 62.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.103 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 83.7 p -84.53 -32.73 23.73 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.826 -0.349 . . . . 0.0 111.275 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 tp -79.07 -5.55 54.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.301 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -72.83 -53.34 11.74 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.871 -0.332 . . . . 0.0 111.22 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.518 HG22 HG23 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -91.22 -4.95 10.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.806 0.336 . . . . 0.0 111.369 -179.279 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 21' ' ' LEU . . . -51.08 -105.34 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 C-N-CA 121.194 -0.527 . . . . 0.0 111.844 -179.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -33.51 -32.52 0.01 OUTLIER Glycine 0 CA--C 1.528 0.886 0 CA-C-N 115.612 -0.294 . . . . 0.0 112.714 -178.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 19' ' ' GLY . 28.6 mt -63.91 -51.03 66.39 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.919 -179.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.518 HG23 HG22 ' A' ' 18' ' ' ILE . 78.1 t -67.81 -49.65 67.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.861 -0.336 . . . . 0.0 111.063 -179.578 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.9 mm -57.65 -45.95 86.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.525 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.42 -37.37 72.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.057 0.456 . . . . 0.0 110.028 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.37 -41.1 99.44 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.395 -0.682 . . . . 0.0 111.395 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.6 mm -64.52 -44.44 96.89 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.151 0 C-N-CA 120.385 -0.526 . . . . 0.0 111.319 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 30.4 tp -58.14 -47.82 82.14 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 120.654 0.264 . . . . 0.0 111.538 -178.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.403 ' O ' ' N ' ' A' ' 31' ' ' GLY . 17.2 m-85 -70.54 -41.12 72.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.766 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.9 mt -58.7 -44.75 90.6 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.377 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.8 mp -63.76 -33.63 76.08 Favored 'General case' 0 N--CA 1.434 -1.268 0 N-CA-C 104.511 -2.403 . . . . 0.0 104.511 175.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . -56.33 -51.48 55.87 Favored Glycine 0 CA--C 1.533 1.182 0 CA-C-N 113.669 -1.605 . . . . 0.0 111.937 -179.381 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 15.4 mm -70.51 -44.71 76.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 116.86 0.33 . . . . 0.0 111.333 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.9 mt -61.01 -46.18 91.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.173 0.511 . . . . 0.0 110.031 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.3 mt -60.21 -44.67 95.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.824 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 34.4 t -59.5 -52.92 55.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 N-CA-C 112.138 0.422 . . . . 0.0 112.138 -178.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.2 mp -66.63 -31.84 72.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.951 0.405 . . . . 0.0 110.271 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.49 ' O ' ' SG ' ' A' ' 40' ' ' CYS . 21.8 m -60.77 -35.82 77.4 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.346 -179.462 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -57.13 -37.08 71.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.853 0.359 . . . . 0.0 110.535 -179.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 52.6 ttt85 -60.45 -29.38 68.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.414 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.574 ' SG ' ' N ' ' A' ' 41' ' ' ARG . 0.8 OUTLIER -59.86 -40.78 89.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.968 -179.816 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.574 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 56.5 ttt85 -61.22 -44.84 96.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.83 0.348 . . . . 0.0 110.485 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.3 m -72.75 -46.18 54.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.576 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.402 ' NZ ' ' O ' ' A' ' 52' ' ' GLU . 13.2 tttm -67.09 -27.63 67.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.158 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -66.29 -45.52 80.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.396 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -79.23 110.63 14.69 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.533 -179.694 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -59.41 -34.52 72.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.431 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -58.4 -42.45 87.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.74 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 38.3 tp60 -67.99 -47.21 69.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.606 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 57.0 mtt180 -146.85 140.58 25.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.456 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 70.1 p -90.33 148.26 22.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.503 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 153.36 -153.25 24.72 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.402 ' O ' ' NZ ' ' A' ' 43' ' ' LYS . 3.1 mp0 -109.27 101.89 47.12 Favored Pre-proline 0 CA--C 1.542 0.657 0 CA-C-O 119.373 -0.346 . . . . 0.0 110.46 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_exo -54.13 149.8 34.42 Favored 'Trans proline' 0 N--CA 1.495 1.607 0 C-N-CA 121.612 1.541 . . . . 0.0 111.968 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -67.34 144.55 55.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.462 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.41 ' O ' ' CB ' ' A' ' 56' ' ' GLU . 96.6 mt-10 -56.0 143.14 33.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.73 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' A' ' 57' ' ' GLU . 9.8 tt0 75.47 20.15 2.0 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.593 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' A' ' 56' ' ' GLU . 95.4 mt-10 53.94 168.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.62 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.456 ' C ' ' H ' ' A' ' 60' ' ' PHE . . . -115.35 -17.29 6.71 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 12.1 t -74.62 18.65 0.16 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.703 0.287 . . . . 0.0 110.713 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.456 ' H ' ' C ' ' A' ' 58' ' ' GLY . 80.1 t80 -69.1 -43.88 73.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.482 0.658 . . . . 0.0 109.287 179.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.403 ' O ' HG22 ' A' ' 64' ' ' ILE . 43.6 mtp85 -63.7 -31.89 73.21 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.699 -1.137 . . . . 0.0 110.379 179.22 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 58.1 m -59.76 -32.29 70.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.173 -179.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.0 m -63.69 -25.67 68.31 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.403 HG22 ' O ' ' A' ' 61' ' ' ARG . 1.4 tt -62.7 -31.96 53.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.354 179.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 63.8 ttt-85 -57.43 -30.47 65.02 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.658 HH12 ' NH1' ' A' ' 70' ' ' ARG . 19.4 ptt85 -55.91 -34.62 65.74 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 178.316 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.8 tp -57.28 -22.75 43.76 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.103 178.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.0 t -72.21 -48.53 42.27 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.765 -178.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.424 ' O ' ' O ' ' A' ' 72' ' ' ARG . 0.1 OUTLIER -106.42 -39.56 5.85 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.742 0.306 . . . . 0.0 111.303 -179.387 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.658 ' NH1' HH12 ' A' ' 66' ' ' ARG . 0.0 OUTLIER -57.75 -69.5 0.17 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.759 0.314 . . . . 0.0 110.783 -179.813 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 58.1 ttt85 -41.69 -36.93 1.07 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.446 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.424 ' O ' ' O ' ' A' ' 69' ' ' THR . 56.2 ttt180 . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.683 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.508 ' N ' ' OE2' ' A' ' 5' ' ' GLU . 96.3 mt-10 . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.61 162.51 20.2 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.481 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -69.82 -7.52 21.29 Favored 'Trans proline' 0 C--N 1.309 -1.528 0 C-N-CA 122.566 2.177 . . . . 0.0 112.146 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 57.2 mmtt -74.83 -10.28 59.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.576 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.508 ' OE2' ' N ' ' A' ' 1' ' ' GLU . 95.9 mt-10 -72.85 139.12 46.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.463 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -98.3 1.24 46.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.703 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.23 161.2 33.57 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.602 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.553 ' CG ' HE22 ' A' ' 14' ' ' GLN . 56.4 Cg_endo -71.67 -23.55 22.77 Favored 'Trans proline' 0 N--CA 1.494 1.514 0 C-N-CA 122.657 2.238 . . . . 0.0 112.284 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -48.03 -21.73 0.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.623 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 34.9 m -56.88 -31.63 65.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.664 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -106.31 138.94 41.59 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.747 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.478 ' C ' ' H ' ' A' ' 14' ' ' GLN . 84.4 m-20 -69.11 -20.8 64.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.631 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -73.67 32.57 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.793 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.553 HE22 ' CG ' ' A' ' 8' ' ' PRO . 71.0 tp60 -51.46 -52.13 49.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.035 -179.486 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 83.7 p -83.81 -30.72 26.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.405 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 tp -82.14 -3.35 54.68 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.435 -179.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.519 ' NE2' ' O ' ' A' ' 17' ' ' GLN . 19.7 tp60 -77.48 -45.26 26.18 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.236 -179.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.592 HG22 ' O ' ' A' ' 18' ' ' ILE . 42.4 mm -100.31 -5.0 9.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.668 0.271 . . . . 0.0 111.111 -179.526 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 21' ' ' LEU . . . -50.02 -99.43 0.01 OUTLIER Glycine 0 CA--C 1.528 0.9 0 C-N-CA 121.206 -0.521 . . . . 0.0 111.955 -179.412 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -36.32 -29.3 0.02 OUTLIER Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.961 -0.455 . . . . 0.0 111.961 -179.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 19' ' ' GLY . 3.4 mp -62.26 -51.43 67.76 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.871 -0.332 . . . . 0.0 111.072 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.1 t -69.32 -49.48 60.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.068 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 79.3 mt -58.49 -46.28 89.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.942 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.77 -45.6 82.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.99 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.48 -35.44 91.07 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 111.504 -0.638 . . . . 0.0 111.504 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 83.9 mt -64.33 -44.46 97.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -178.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 54.7 mt -63.62 -47.55 80.94 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.824 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.47 ' CE1' HD11 ' A' ' 32' ' ' ILE . 56.4 t80 -66.73 -39.17 87.85 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.829 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 18.5 mt -63.94 -41.13 91.53 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.365 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.0 mt -64.7 -33.97 77.22 Favored 'General case' 0 N--CA 1.435 -1.196 0 N-CA-C 104.902 -2.258 . . . . 0.0 104.902 175.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.416 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -56.95 -52.23 52.42 Favored Glycine 0 CA--C 1.531 1.088 0 CA-C-N 113.184 -1.825 . . . . 0.0 111.699 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.47 HD11 ' CE1' ' A' ' 28' ' ' PHE . 31.9 mm -66.01 -44.84 92.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.225 0 O-C-N 122.575 -0.368 . . . . 0.0 111.333 -179.285 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 91.1 mt -63.6 -44.25 94.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.052 0.454 . . . . 0.0 110.1 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 32.0 mt -60.69 -47.74 91.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.371 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 31' ' ' GLY . 41.2 t -56.87 -52.68 52.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.164 -179.142 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 82.9 mt -66.29 -33.83 76.62 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.744 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 73.5 m -61.54 -36.63 81.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.304 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -57.5 -37.25 72.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.873 0.368 . . . . 0.0 110.83 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.589 ' HD3' ' HZ2' ' A' ' 43' ' ' LYS . 56.7 ttt180 -59.61 -27.59 66.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.595 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 35.4 m -60.33 -44.7 95.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.987 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -56.96 -41.44 78.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.559 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.57 -36.37 57.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.589 ' HZ2' ' HD3' ' A' ' 39' ' ' ARG . 66.4 mttt -76.73 -30.31 56.57 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.52 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.601 ' CE2' ' ND2' ' A' ' 45' ' ' ASN . 39.0 t80 -65.25 -48.47 73.15 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.62 -178.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.601 ' ND2' ' CE2' ' A' ' 44' ' ' PHE . 65.8 m-20 -146.1 87.04 1.72 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.747 0.308 . . . . 0.0 110.639 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -68.29 -20.71 64.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.216 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -59.9 -39.44 85.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.696 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -55.89 -40.32 72.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.905 0.383 . . . . 0.0 110.297 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -64.54 -30.86 71.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.289 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 34.3 m -79.93 150.5 30.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.666 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 78.61 -127.19 7.95 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.51 ' N ' ' OE1' ' A' ' 52' ' ' GLU . 3.7 pm0 -109.38 101.79 47.01 Favored Pre-proline 0 CA--C 1.54 0.596 0 CA-C-O 119.401 -0.333 . . . . 0.0 110.353 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -54.66 144.96 62.07 Favored 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 121.527 1.484 . . . . 0.0 112.022 179.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 59.0 p30 -162.71 -179.5 6.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.571 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.598 ' H ' ' CD ' ' A' ' 55' ' ' GLU . 45.7 mp0 -54.57 -94.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.463 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 40.51 65.65 0.74 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.718 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -54.76 148.22 13.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.665 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -158.1 -38.51 0.02 OUTLIER Glycine 0 CA--C 1.527 0.805 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.408 ' O ' ' OG ' ' A' ' 62' ' ' SER . 0.4 OUTLIER -66.33 161.97 21.25 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -69.46 -38.64 77.84 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 179.091 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.9 mmt85 -71.16 -32.64 69.17 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.395 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.408 ' OG ' ' O ' ' A' ' 59' ' ' THR . 86.9 p -60.35 -32.65 71.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.175 -179.237 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.511 ' OG ' ' NH2' ' A' ' 66' ' ' ARG . 14.2 t -63.57 -26.17 68.57 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.3 tp -62.63 -32.29 54.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.125 179.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 25.9 mtp180 -57.48 -29.95 64.68 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.527 ' O ' ' N ' ' A' ' 70' ' ' ARG . 80.7 mtm180 -54.92 -34.89 63.6 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.346 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.595 ' N ' HD12 ' A' ' 67' ' ' LEU . 9.3 mp -61.93 -22.48 65.64 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.723 179.474 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.0 t -68.1 -48.56 65.14 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.971 -0.292 . . . . 0.0 111.487 -179.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 86.4 m -104.53 -38.09 6.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.094 0.473 . . . . 0.0 110.504 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.527 ' N ' ' O ' ' A' ' 66' ' ' ARG . 68.3 ttt180 -107.7 100.64 10.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.515 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 47.4 mtm180 -90.91 -125.55 0.08 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.731 0.3 . . . . 0.0 110.718 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 118.069 -0.967 . . . . 0.0 110.636 -179.786 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.77 162.54 53.89 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.525 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -69.68 -14.76 36.81 Favored 'Trans proline' 0 C--N 1.31 -1.481 0 C-N-CA 122.518 2.145 . . . . 0.0 112.183 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -74.51 -29.74 61.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.508 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -60.63 -33.92 73.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.324 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 73.0 m80 -82.31 22.48 0.83 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.434 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.43 -51.6 49.95 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.422 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -79.44 81.73 2.7 Favored 'Trans proline' 0 C--N 1.313 -1.313 0 C-N-CA 121.917 1.745 . . . . 0.0 112.229 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.522 ' CE1' ' OD1' ' A' ' 12' ' ' ASP . 36.1 p90 -110.02 136.63 48.98 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.514 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.8 m -75.11 -43.46 52.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.632 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -134.92 153.08 52.2 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.54 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.522 ' OD1' ' CE1' ' A' ' 9' ' ' PHE . 96.4 m-20 -99.14 -19.01 17.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.612 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.423 ' O ' ' N ' ' A' ' 17' ' ' GLN . 58.0 m-85 -88.96 32.75 0.8 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.527 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -51.7 -50.28 60.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.275 -179.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 83.0 p -84.28 -34.64 23.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.575 -179.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 tp -77.53 -14.12 59.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.626 -179.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 13' ' ' TYR . 26.9 tt0 -66.03 -49.68 66.88 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.909 -0.316 . . . . 0.0 111.402 -179.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.728 HG22 HG23 ' A' ' 22' ' ' VAL . 6.4 mt -93.85 -12.68 8.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.862 0.363 . . . . 0.0 111.161 -179.196 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -44.37 -96.44 0.01 OUTLIER Glycine 0 CA--C 1.528 0.847 0 C-N-CA 121.232 -0.508 . . . . 0.0 111.933 -179.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -37.01 -35.78 0.15 Allowed Glycine 0 CA--C 1.528 0.898 0 N-CA-C 112.133 -0.387 . . . . 0.0 112.133 -178.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.3 mt -58.8 -50.27 74.58 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 122.615 -0.344 . . . . 0.0 111.613 -179.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.728 HG23 HG22 ' A' ' 18' ' ' ILE . 73.4 t -69.22 -47.1 75.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.679 0.276 . . . . 0.0 111.599 -179.137 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 81.7 mt -62.44 -46.25 96.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.599 -178.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.95 -44.15 94.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.984 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.67 -36.39 91.53 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 64.8 mt -63.73 -43.98 98.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.358 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 31.7 tp -60.53 -46.92 88.4 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.653 0.263 . . . . 0.0 110.871 -179.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -68.76 -36.72 78.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.728 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.4 mt -64.53 -44.15 96.87 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 179.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.1 tp -64.77 -34.42 78.3 Favored 'General case' 0 N--CA 1.437 -1.085 0 N-CA-C 104.756 -2.313 . . . . 0.0 104.756 176.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.63 -51.77 55.92 Favored Glycine 0 CA--C 1.532 1.126 0 CA-C-N 113.013 -1.903 . . . . 0.0 111.706 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.0 mt -67.04 -44.64 88.16 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.115 0 O-C-N 122.729 -0.277 . . . . 0.0 111.269 -179.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.5 mt -63.54 -44.62 93.68 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.715 -0.394 . . . . 0.0 109.948 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 29.7 mt -60.19 -47.04 93.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.381 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 39.2 t -56.78 -51.22 69.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.701 0.286 . . . . 0.0 111.068 -179.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.7 tp -66.2 -35.25 79.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.105 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.78 -35.45 76.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.234 -179.303 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.22 -36.02 70.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.801 -179.272 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 34.5 mmm-85 -61.24 -27.83 68.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.628 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 44' ' ' PHE . 36.1 m -60.3 -47.55 85.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.977 -179.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 73.8 ttt180 -54.98 -40.24 69.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.959 0.409 . . . . 0.0 110.43 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.4 m -75.92 -37.03 59.16 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.504 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 53.7 mttt -78.26 -26.76 47.33 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.608 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 40' ' ' CYS . 2.0 m-85 -66.51 -47.01 74.32 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.261 -179.483 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -120.22 60.93 0.87 Allowed 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.588 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -64.81 -31.6 72.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.254 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -55.33 -43.38 74.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.568 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.867 ' O ' HG23 ' A' ' 50' ' ' THR . 25.8 mt-30 -63.99 -33.84 76.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.273 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.44 ' CG ' HH11 ' A' ' 49' ' ' ARG . 0.6 OUTLIER 40.49 26.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.706 179.833 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.867 HG23 ' O ' ' A' ' 48' ' ' GLN . 52.7 p -126.25 151.84 46.91 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.493 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -114.43 65.5 0.28 Allowed Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -108.92 102.11 47.15 Favored Pre-proline 0 CA--C 1.541 0.603 0 CA-C-O 119.374 -0.346 . . . . 0.0 110.396 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -52.32 137.64 55.89 Favored 'Trans proline' 0 N--CA 1.495 1.573 0 C-N-CA 121.622 1.548 . . . . 0.0 112.191 179.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -164.12 91.21 0.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.509 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 41.49 -114.06 0.22 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.535 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -95.22 117.28 29.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.401 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -76.35 -37.02 57.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.804 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 141.51 -25.83 2.44 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.682 HG22 ' HE ' ' A' ' 61' ' ' ARG . 0.2 OUTLIER -64.93 156.5 30.92 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 179.704 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.59 -38.09 77.2 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 179.314 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.682 ' HE ' HG22 ' A' ' 59' ' ' THR . 2.4 mtm-85 -64.44 -32.34 73.92 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.499 -1.228 . . . . 0.0 109.729 178.398 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.7 t -60.46 -32.95 71.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.964 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 70.9 p -63.92 -26.82 68.77 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.045 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.2 tt -64.26 -33.27 61.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.555 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 70.7 mtp85 -58.45 -30.24 66.77 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.266 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.559 ' NH2' ' NH1' ' A' ' 70' ' ' ARG . 43.9 mtp180 -55.49 -35.78 65.93 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.38 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.564 HD22 ' N ' ' A' ' 67' ' ' LEU . 3.8 mm? -58.73 -22.75 58.41 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.531 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 68.3 p -69.26 -47.76 63.71 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.459 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.4 p -105.58 -39.39 6.11 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.727 0.298 . . . . 0.0 111.305 -179.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.559 ' NH1' ' NH2' ' A' ' 66' ' ' ARG . 51.5 ttt180 -65.87 -26.5 67.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.739 -179.662 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.7 ttt-85 -137.87 -171.51 3.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.495 -179.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 75.3 mtp180 . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.574 179.784 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.62 162.26 74.38 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.396 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -69.7 -22.57 32.19 Favored 'Trans proline' 0 C--N 1.309 -1.52 0 C-N-CA 122.547 2.165 . . . . 0.0 112.137 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 55.0 mmtt -74.89 -7.45 53.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.554 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -96.85 153.92 17.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.607 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 44.7 m-70 -105.41 140.85 37.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.306 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -132.73 59.03 40.27 Favored Pre-proline 0 C--N 1.332 -0.157 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.74 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -71.25 -20.16 28.45 Favored 'Trans proline' 0 C--N 1.308 -1.601 0 C-N-CA 122.554 2.169 . . . . 0.0 112.148 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -55.98 -27.05 51.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.686 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 41.2 m -53.09 -34.78 58.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.648 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.427 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 95.6 m-85 -116.73 131.9 56.83 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.768 -179.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.427 ' OD1' ' O ' ' A' ' 11' ' ' TYR . 64.6 m-20 -161.4 -14.13 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.43 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.4 ' O ' ' N ' ' A' ' 17' ' ' GLN . 27.6 m-85 -83.54 32.03 0.46 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.699 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -51.66 -51.55 55.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.452 -179.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.5 t -83.69 -31.07 26.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.757 0.313 . . . . 0.0 111.422 -179.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.4 mt -79.74 -9.3 59.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.137 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 13' ' ' TYR . 8.5 mm-40 -70.61 -49.15 50.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.833 0.349 . . . . 0.0 110.94 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.669 HG22 HG23 ' A' ' 22' ' ' VAL . 14.1 mm -96.43 -6.15 9.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.044 -179.203 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -51.74 -95.94 0.01 OUTLIER Glycine 0 CA--C 1.528 0.879 0 C-N-CA 121.098 -0.572 . . . . 0.0 111.746 -179.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -38.1 -31.34 0.1 OUTLIER Glycine 0 CA--C 1.528 0.901 0 N-CA-C 112.253 -0.339 . . . . 0.0 112.253 -179.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.6 mp -61.44 -51.4 68.89 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 122.624 -0.339 . . . . 0.0 111.431 -179.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.669 HG23 HG22 ' A' ' 18' ' ' ILE . 61.8 t -68.41 -44.98 82.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.328 -179.149 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.0 mm -62.79 -46.42 96.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 C-N-CA 120.881 -0.327 . . . . 0.0 111.247 -179.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.66 -43.29 84.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.852 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.68 -38.12 95.37 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 80.4 mt -62.53 -43.09 98.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 111.673 0.249 . . . . 0.0 111.673 -179.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 35.9 tp -64.13 -47.6 79.33 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.724 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -67.31 -36.32 81.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.305 179.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.0 mt -66.58 -43.38 90.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 mt -64.71 -34.09 77.5 Favored 'General case' 0 N--CA 1.437 -1.108 0 N-CA-C 104.342 -2.466 . . . . 0.0 104.342 175.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.484 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -57.8 -51.47 57.9 Favored Glycine 0 CA--C 1.531 1.055 0 CA-C-N 112.837 -1.983 . . . . 0.0 111.625 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.1 mt -66.56 -44.5 90.05 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.139 0 O-C-N 122.705 -0.291 . . . . 0.0 111.39 -179.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 94.3 mt -65.03 -44.17 89.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.086 0.47 . . . . 0.0 110.221 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 32.1 mt -60.59 -46.39 95.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.362 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 31' ' ' GLY . 46.2 t -56.49 -52.29 54.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.894 -179.196 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 83.0 mt -66.47 -34.69 78.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.075 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 67.9 m -61.12 -35.57 77.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.507 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -57.49 -34.75 69.38 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.953 -0.299 . . . . 0.0 111.033 -179.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.3 tpp180 -61.32 -30.65 70.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.84 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -57.86 -45.57 86.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.087 -179.529 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.515 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 65.8 ttt-85 -55.83 -43.22 76.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.099 -179.591 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.42 ' O ' ' OD1' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -78.91 -32.8 45.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.468 -179.425 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.6 ttpp -73.82 -32.3 63.65 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.704 -179.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.462 ' CD2' ' N ' ' A' ' 45' ' ' ASN . 0.5 OUTLIER -65.91 -47.93 73.11 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -178.635 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.515 ' ND2' ' O ' ' A' ' 41' ' ' ARG . 0.1 OUTLIER -72.22 87.93 1.12 Allowed 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.301 -179.542 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -58.63 -34.21 70.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.452 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -60.26 -44.67 95.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.733 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 59.1 mm-40 -69.09 -47.13 66.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.464 -179.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -148.39 134.74 19.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.34 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 32.2 p -93.88 149.59 21.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.662 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -162.0 -127.14 0.86 Allowed Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.422 ' O ' ' O ' ' A' ' 53' ' ' PRO . 8.9 mt-10 -74.02 157.27 87.19 Favored Pre-proline 0 CA--C 1.534 0.352 0 C-N-CA 121.301 -0.16 . . . . 0.0 110.686 -179.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.422 ' O ' ' O ' ' A' ' 52' ' ' GLU . 74.5 Cg_exo -39.43 165.82 0.02 OUTLIER 'Trans proline' 0 N--CA 1.49 1.318 0 C-N-CA 122.58 2.187 . . . . 0.0 112.467 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 60.9 t0 -78.46 116.29 18.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.557 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -121.29 -153.45 0.55 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.239 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -44.22 141.85 1.68 Allowed 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.217 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -68.08 120.84 14.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.871 0.367 . . . . 0.0 110.893 -179.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.478 ' C ' ' H ' ' A' ' 60' ' ' PHE . . . -83.98 -13.76 73.93 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.254 -1.139 . . . . 0.0 110.254 179.417 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.7 t -71.94 12.53 0.39 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.954 0.407 . . . . 0.0 110.366 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.478 ' H ' ' C ' ' A' ' 58' ' ' GLY . 55.3 t80 -69.1 -37.98 78.7 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.631 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -58.7 -32.88 69.58 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.823 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.2 p -61.42 -32.51 72.46 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.573 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.75 -33.14 74.99 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.952 -0.299 . . . . 0.0 111.532 -178.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -63.11 -31.17 51.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.607 0.242 . . . . 0.0 111.177 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 79.4 mtt180 -56.36 -29.98 62.07 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.442 ' O ' ' CG ' ' A' ' 70' ' ' ARG . 31.4 mtm105 -54.61 -35.99 63.99 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.668 -0.494 . . . . 0.0 109.668 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.5 mt -56.45 -22.88 35.02 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.198 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.5 m -72.58 -45.99 56.49 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.865 -179.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -105.37 -39.49 6.13 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -178.324 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.442 ' CG ' ' O ' ' A' ' 66' ' ' ARG . 0.2 OUTLIER -53.01 -25.12 11.2 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.315 -0.554 . . . . 0.0 111.646 -178.623 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.41 ' O ' ' O ' ' A' ' 72' ' ' ARG . 66.3 ttt180 -153.06 155.99 37.9 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.873 -179.004 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.41 ' O ' ' O ' ' A' ' 71' ' ' ARG . 56.7 ttt85 . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 117.896 -1.05 . . . . 0.0 110.764 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t 56.78 58.32 8.4 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.631 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -71.53 -9.1 24.54 Favored 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 122.6 2.2 . . . . 0.0 112.064 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -74.93 -7.95 55.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.642 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -58.27 -37.68 75.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.273 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -105.48 131.91 52.31 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.262 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.575 ' N ' ' CD ' ' A' ' 8' ' ' PRO . 0.1 OUTLIER -93.57 -43.22 0.32 Allowed Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.153 -179.721 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.575 ' CD ' ' N ' ' A' ' 7' ' ' ASP . 48.6 Cg_endo -86.34 -47.32 0.04 OUTLIER 'Trans proline' 0 C--N 1.311 -1.413 0 C-N-CA 122.884 2.389 . . . . 0.0 112.633 -179.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -54.99 -14.91 1.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.606 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 30.5 m -59.42 -36.17 75.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.795 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -115.62 135.38 54.12 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.811 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.429 ' C ' ' H ' ' A' ' 14' ' ' GLN . 55.0 t0 -89.66 0.74 56.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.242 179.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -78.61 29.31 0.19 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.318 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.429 ' H ' ' C ' ' A' ' 12' ' ' ASP . 93.3 mm-40 -51.51 -51.75 52.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.336 -179.033 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 83.4 p -82.01 -32.73 30.43 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 121.014 -0.274 . . . . 0.0 111.512 -179.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.0 tp -81.19 -3.86 53.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.362 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -73.76 -47.14 41.2 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.304 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.436 HG12 HG23 ' A' ' 22' ' ' VAL . 2.3 tt -99.15 5.05 9.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.345 -179.077 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 21' ' ' LEU . . . -66.35 -89.72 0.05 OUTLIER Glycine 0 CA--C 1.528 0.866 0 C-N-CA 120.866 -0.683 . . . . 0.0 111.466 -179.498 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.488 ' HA2' HD11 ' A' ' 23' ' ' ILE . . . -37.32 -29.82 0.04 OUTLIER Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.65 -0.58 . . . . 0.0 111.65 -179.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 19' ' ' GLY . 8.8 mp -70.77 -51.21 28.5 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -179.098 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.436 HG23 HG12 ' A' ' 18' ' ' ILE . 19.8 t -68.05 -50.83 55.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 120.471 -0.492 . . . . 0.0 112.227 -178.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.488 HD11 ' HA2' ' A' ' 20' ' ' GLY . 11.0 pt -59.18 -39.77 79.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 120.461 -0.495 . . . . 0.0 110.68 -179.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.91 -37.42 84.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.965 0.412 . . . . 0.0 110.148 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.93 -41.97 99.7 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 111.489 -0.645 . . . . 0.0 111.489 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.9 mm -64.23 -44.29 97.41 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.123 0 C-N-CA 120.388 -0.525 . . . . 0.0 111.027 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 30.4 tp -55.76 -47.56 76.8 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.904 -179.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -71.43 -44.85 64.09 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.226 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 42.5 mt -58.32 -43.43 86.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.1 tp -65.16 -34.6 78.77 Favored 'General case' 0 N--CA 1.437 -1.089 0 N-CA-C 104.901 -2.259 . . . . 0.0 104.901 176.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.463 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -57.39 -52.43 51.72 Favored Glycine 0 CA--C 1.534 1.254 0 CA-C-N 113.272 -1.785 . . . . 0.0 111.713 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 20.6 mm -68.68 -44.8 82.17 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 117.022 0.411 . . . . 0.0 111.019 -179.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.2 mt -59.1 -45.87 89.75 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 31.5 mt -60.5 -44.65 96.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.49 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 31' ' ' GLY . 40.8 t -57.07 -52.87 50.59 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.635 -178.604 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.2 mp -66.8 -33.46 75.67 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.234 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 64.0 m -60.95 -35.85 77.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.068 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -39.04 77.25 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.457 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -58.09 -30.98 66.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.847 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 35.3 m -57.93 -38.99 76.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.687 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -60.33 -38.71 84.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.605 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.501 ' SG ' ' NH1' ' A' ' 49' ' ' ARG . 4.5 m -78.92 -37.79 39.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.625 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 37.4 mttm -76.12 -27.25 57.02 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.554 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -65.55 -47.78 74.67 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.522 -178.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -158.52 101.84 1.7 Allowed 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.764 -0.375 . . . . 0.0 110.973 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -65.66 -31.2 72.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.401 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -61.63 -27.71 68.85 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.797 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -56.13 -42.18 76.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.598 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.501 ' NH1' ' SG ' ' A' ' 42' ' ' CYS . 9.0 mmt85 -70.8 -31.32 68.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.88 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 21.1 m -53.86 -38.29 64.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.522 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 127.77 65.0 0.13 Allowed Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -100.55 157.29 34.03 Favored Pre-proline 0 CA--C 1.531 0.229 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -40.17 -35.16 1.17 Allowed 'Trans proline' 0 N--CA 1.489 1.245 0 C-N-CA 122.301 2.001 . . . . 0.0 112.208 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.0 t70 47.15 25.62 0.55 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.478 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -68.48 -36.08 78.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.612 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -93.12 162.28 14.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.659 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -60.75 145.45 49.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.355 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 59' ' ' THR . . . -101.49 -131.4 7.37 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.75 HG22 ' H ' ' A' ' 60' ' ' PHE . 30.0 m -49.4 179.99 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.65 0.262 . . . . 0.0 110.388 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.75 ' H ' HG22 ' A' ' 59' ' ' THR . 67.4 t80 -69.31 -44.28 72.06 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 -65.61 -31.69 72.86 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.513 179.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.8 p -60.62 -33.65 73.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.406 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 16.1 m -65.66 -31.05 71.86 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.282 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.5 mm -63.85 -32.92 58.94 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.836 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.2 mmt85 -57.43 -29.82 64.48 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.504 ' O ' ' N ' ' A' ' 70' ' ' ARG . 3.3 mtp180 -55.1 -35.37 64.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.947 0.403 . . . . 0.0 110.243 179.617 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.713 ' O ' HD13 ' A' ' 67' ' ' LEU . 3.2 tm? -56.48 -25.68 51.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.719 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.4 t -66.87 -47.46 71.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.677 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 53.6 p -106.35 -39.47 5.9 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 66' ' ' ARG . 51.5 ttt180 -58.53 -45.73 88.27 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.866 -0.334 . . . . 0.0 111.212 -179.114 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.424 ' O ' ' O ' ' A' ' 67' ' ' LEU . 9.5 mtm180 -125.43 155.1 40.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.445 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 84.4 mtm-85 . . . . . 0 C--O 1.221 -0.417 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.473 -179.889 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.534 ' N ' ' CZ ' ' A' ' 9' ' ' PHE . 96.8 mt-10 . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.88 162.41 62.53 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.421 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -68.89 -23.93 34.42 Favored 'Trans proline' 0 C--N 1.308 -1.596 0 C-N-CA 122.417 2.078 . . . . 0.0 111.943 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.1 mttt -75.66 -5.43 45.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.693 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.411 ' HG3' ' H2 ' ' A' ' 1' ' ' GLU . 75.0 mm-40 -76.23 151.46 36.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.411 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -89.03 -170.2 2.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.658 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' A' ' 7' ' ' ASP . 0.0 OUTLIER -69.1 -58.45 6.27 Favored Pre-proline 0 CA--C 1.535 0.375 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -179.344 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.428 ' O ' ' O ' ' A' ' 11' ' ' TYR . 41.6 Cg_endo -67.18 34.75 0.14 Allowed 'Trans proline' 0 N--CA 1.497 1.679 0 C-N-CA 121.693 1.596 . . . . 0.0 112.359 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.534 ' CZ ' ' N ' ' A' ' 1' ' ' GLU . 90.7 t80 -68.14 -44.36 76.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.819 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 79.9 m -69.64 -41.01 76.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.071 -179.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.428 ' O ' ' O ' ' A' ' 8' ' ' PRO . 95.5 m-85 -112.84 131.92 55.5 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.975 -179.526 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -146.1 -39.64 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.411 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.411 ' O ' ' N ' ' A' ' 17' ' ' GLN . 24.4 m-85 -82.37 32.31 0.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.277 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -51.66 -52.26 49.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.019 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 82.5 p -81.84 -30.73 31.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.775 0.321 . . . . 0.0 111.179 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.5 mt -81.43 -3.4 52.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.114 -179.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 13' ' ' TYR . 2.6 mt-30 -74.87 -50.88 15.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.309 -179.533 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.659 HG22 HG23 ' A' ' 22' ' ' VAL . 10.7 mm -95.42 -6.52 10.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.749 0.309 . . . . 0.0 110.892 -179.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.468 ' O ' ' N ' ' A' ' 21' ' ' LEU . . . -48.74 -102.77 0.01 OUTLIER Glycine 0 CA--C 1.527 0.809 0 N-CA-C 111.741 -0.544 . . . . 0.0 111.741 -179.541 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -34.59 -30.9 0.01 OUTLIER Glycine 0 CA--C 1.527 0.815 0 N-CA-C 112.145 -0.382 . . . . 0.0 112.145 -179.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 19' ' ' GLY . 4.9 mp -62.69 -51.53 66.84 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.903 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.659 HG23 HG22 ' A' ' 18' ' ' ILE . 11.2 t -68.39 -50.28 58.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.88 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 80.1 mt -56.32 -46.27 81.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.908 0.385 . . . . 0.0 110.436 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.4 -37.35 70.02 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.972 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.44 -39.06 97.3 Favored Glycine 0 CA--C 1.529 0.915 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.74 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.0 mm -65.21 -44.7 95.18 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.177 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.504 -179.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 47.1 mt -60.43 -47.44 86.1 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 120.771 -0.372 . . . . 0.0 111.411 -179.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -70.26 -36.41 74.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.855 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 16.6 mt -66.4 -43.52 91.16 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.384 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.9 mt -64.63 -34.35 78.07 Favored 'General case' 0 N--CA 1.436 -1.169 0 N-CA-C 104.955 -2.239 . . . . 0.0 104.955 176.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.605 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -58.17 -51.88 55.82 Favored Glycine 0 CA--C 1.53 1.003 0 CA-C-N 113.577 -1.647 . . . . 0.0 111.23 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 90.8 mt -65.44 -45.09 93.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 O-C-N 122.719 -0.283 . . . . 0.0 111.482 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 97.5 mt -64.31 -45.85 86.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.994 0.426 . . . . 0.0 110.156 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 41.5 mt -60.15 -45.93 95.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.574 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 31' ' ' GLY . 54.6 t -56.42 -52.3 54.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.935 -179.149 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 78.6 mt -66.15 -33.98 77.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.844 0.354 . . . . 0.0 110.613 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.496 ' O ' ' SG ' ' A' ' 40' ' ' CYS . 59.4 m -61.42 -35.27 77.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.365 -179.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -56.64 -31.96 64.87 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.816 -179.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.7 mtp85 -67.27 -30.54 70.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.806 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.579 ' SG ' ' N ' ' A' ' 41' ' ' ARG . 1.8 p -58.78 -42.77 89.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.29 -179.232 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.579 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 18.3 ttp85 -58.18 -43.68 87.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.882 0.372 . . . . 0.0 110.636 -179.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.4 ' HA ' HD21 ' A' ' 45' ' ' ASN . 1.8 m -73.45 -39.02 65.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.739 -179.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -73.03 -26.09 61.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.176 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -64.93 -47.65 76.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.381 -179.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.464 ' OD1' ' CG ' ' A' ' 48' ' ' GLN . 9.6 p30 -87.84 122.87 32.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.827 0.346 . . . . 0.0 110.988 -179.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.517 ' NE2' ' O ' ' A' ' 51' ' ' GLY . 88.8 mt-30 -63.77 -24.71 67.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.645 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -53.81 -41.61 67.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.581 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.464 ' CG ' ' OD1' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -67.51 -43.12 81.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.666 179.824 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.408 ' CG ' ' H ' ' A' ' 50' ' ' THR . 0.5 OUTLIER -166.59 -100.1 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.783 179.859 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.408 ' H ' ' CG ' ' A' ' 49' ' ' ARG . 35.3 p -106.79 167.29 9.98 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.026 -179.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.517 ' O ' ' NE2' ' A' ' 46' ' ' GLN . . . 166.03 147.46 5.2 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.18 157.78 33.21 Favored Pre-proline 0 C--N 1.33 -0.248 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.441 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.419 ' O ' ' OD1' ' A' ' 54' ' ' ASP . 74.5 Cg_exo -38.54 155.23 0.03 OUTLIER 'Trans proline' 0 C--N 1.314 -1.253 0 C-N-CA 122.538 2.159 . . . . 0.0 112.251 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 53' ' ' PRO . 66.0 m-20 -148.93 164.71 33.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.493 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -79.46 -84.56 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.542 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -101.42 165.34 11.31 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.495 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -85.4 152.85 22.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.605 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 101.54 138.01 9.97 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.99 168.91 18.6 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -69.42 -44.23 71.8 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 18.3 mtm-85 -63.77 -31.71 72.97 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.803 178.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.8 t -60.65 -32.82 71.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.931 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.3 m -64.11 -28.03 69.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.64 -179.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.1 pp -63.24 -30.87 50.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.564 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -57.54 -32.54 67.19 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.992 -179.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.514 ' O ' ' N ' ' A' ' 70' ' ' ARG . 10.7 mpt_? -55.42 -34.59 64.56 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.46 -0.571 . . . . 0.0 109.46 179.248 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 42.1 mt -56.54 -21.92 29.66 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.553 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 32.3 t -69.02 -48.98 61.65 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.378 -0.529 . . . . 0.0 111.27 -179.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 13.5 p -107.57 -39.57 5.58 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.87 0.367 . . . . 0.0 111.546 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.514 ' N ' ' O ' ' A' ' 66' ' ' ARG . 28.6 ttp180 -65.69 -10.84 40.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.659 -178.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 63.7 ttt180 -136.11 145.56 46.02 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.803 0.335 . . . . 0.0 110.705 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 29.1 ptt180 . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.612 -179.843 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 . . . . . 0 N--CA 1.489 1.487 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.32 162.54 55.82 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.49 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -69.25 -16.52 39.76 Favored 'Trans proline' 0 C--N 1.309 -1.544 0 C-N-CA 122.536 2.157 . . . . 0.0 112.119 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.3 mmtm -74.89 -15.32 60.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.524 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -92.2 140.93 29.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.424 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -100.33 146.74 26.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.571 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.42 -51.78 4.2 Favored Pre-proline 0 CA--C 1.534 0.338 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.712 -179.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -77.1 -23.71 10.25 Favored 'Trans proline' 0 N--CA 1.49 1.29 0 C-N-CA 121.889 1.726 . . . . 0.0 112.725 -179.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -55.31 -36.03 65.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.843 0.354 . . . . 0.0 110.468 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 46.0 m -56.28 -33.75 65.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.756 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.42 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 25.5 t80 -105.59 131.96 52.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.657 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.42 ' OD1' ' O ' ' A' ' 11' ' ' TYR . 70.9 m-20 -154.72 17.7 0.45 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.409 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -79.62 29.35 0.25 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.407 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.416 ' H ' ' C ' ' A' ' 12' ' ' ASP . 93.5 mt-30 -52.06 -51.04 60.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.453 -179.243 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 82.6 p -84.1 -30.63 25.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.538 -179.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 tp -81.92 -5.47 58.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.705 0.288 . . . . 0.0 111.157 -179.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -70.32 -51.51 29.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.232 -179.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.497 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -94.56 -2.08 10.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.88 -179.537 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -53.12 -96.48 0.01 OUTLIER Glycine 0 CA--C 1.528 0.863 0 C-N-CA 121.14 -0.553 . . . . 0.0 111.884 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -39.27 -34.18 0.35 Allowed Glycine 0 CA--C 1.527 0.826 0 N-CA-C 111.917 -0.473 . . . . 0.0 111.917 -179.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.8 mp -58.9 -51.2 71.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.713 0.292 . . . . 0.0 111.555 -179.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 18' ' ' ILE . 87.2 t -68.51 -48.23 73.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.394 -179.098 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.5 mm -60.63 -46.03 96.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.717 0.294 . . . . 0.0 111.3 -179.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.53 -45.47 85.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.824 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.11 -37.57 91.85 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 91.2 mt -63.17 -42.73 97.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 121.075 -0.25 . . . . 0.0 111.351 -179.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 29.7 tp -61.51 -46.71 88.84 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.844 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -71.08 -36.56 72.28 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.01 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 25.3 mt -65.87 -44.13 92.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 179.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.4 tp -64.75 -34.25 77.9 Favored 'General case' 0 N--CA 1.435 -1.178 0 N-CA-C 104.892 -2.262 . . . . 0.0 104.892 176.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.453 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -59.72 -52.22 54.29 Favored Glycine 0 CA--C 1.53 1.029 0 CA-C-N 112.871 -1.968 . . . . 0.0 112.077 -179.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 84.9 mt -66.57 -44.24 90.16 Favored 'Isoleucine or valine' 0 C--O 1.232 0.152 0 CA-C-O 120.657 0.265 . . . . 0.0 110.841 -179.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.2 mt -62.19 -45.24 94.25 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 24.8 mt -60.61 -45.02 98.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.448 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 31' ' ' GLY . 42.3 t -56.73 -51.97 60.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.054 -178.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 73.3 mt -66.24 -32.14 73.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.877 0.37 . . . . 0.0 110.544 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 56.4 m -62.24 -35.59 79.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.223 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.6 mtt180 -57.27 -36.45 71.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.747 0.308 . . . . 0.0 110.713 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.0 tpt85 -60.87 -31.91 71.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.528 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 34.0 m -59.72 -38.91 82.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.972 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 90.2 mtt-85 -58.82 -46.7 87.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.939 0.399 . . . . 0.0 110.824 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -79.13 -30.81 43.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.582 -178.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -78.24 -28.26 47.81 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.989 -0.285 . . . . 0.0 111.61 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.511 ' CE2' ' OG1' ' A' ' 59' ' ' THR . 26.4 t80 -65.56 -46.12 80.71 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.437 -179.075 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -80.24 108.9 14.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.831 0.348 . . . . 0.0 110.852 -179.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.433 ' O ' ' O ' ' A' ' 49' ' ' ARG . 8.4 pt20 -66.15 -32.62 74.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.389 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -69.35 -36.21 76.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.499 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -61.41 -40.89 96.03 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.769 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.433 ' O ' ' O ' ' A' ' 46' ' ' GLN . 9.1 tpt180 -152.95 -127.45 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.446 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 60.3 p -79.77 152.1 29.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.732 0.301 . . . . 0.0 110.445 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -107.03 74.47 0.21 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.3 157.58 33.4 Favored Pre-proline 0 C--N 1.33 -0.268 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -39.0 140.15 0.44 Allowed 'Trans proline' 0 C--N 1.312 -1.385 0 C-N-CA 122.358 2.039 . . . . 0.0 112.153 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' A' ' 54' ' ' ASP . 51.8 p30 -106.41 155.23 19.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.778 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.416 ' O ' ' CB ' ' A' ' 56' ' ' GLU . 78.8 mm-40 -95.39 18.31 12.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.468 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.416 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 19.4 tt0 76.46 2.19 3.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.25 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -109.07 166.93 10.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.378 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.465 ' C ' ' N ' ' A' ' 60' ' ' PHE . . . 126.46 -97.16 0.49 Allowed Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.358 -1.097 . . . . 0.0 110.358 -179.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.511 ' OG1' ' CE2' ' A' ' 44' ' ' PHE . 0.2 OUTLIER -53.04 -11.08 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.378 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.465 ' N ' ' C ' ' A' ' 58' ' ' GLY . 90.7 t80 -68.7 -43.74 75.4 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.223 179.519 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 40.2 ttt180 -60.73 -32.77 72.03 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.912 -1.04 . . . . 0.0 109.268 178.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.7 p -61.75 -33.19 73.62 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.012 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.6 m -63.81 -29.55 70.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.949 0.404 . . . . 0.0 110.267 -179.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.424 HG23 HD12 ' A' ' 67' ' ' LEU . 59.7 mt -63.42 -33.11 59.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.385 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.07 -29.1 65.15 Favored 'General case' 0 C--O 1.232 0.144 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.535 ' O ' ' N ' ' A' ' 70' ' ' ARG . 6.2 tpt85 -55.11 -35.18 64.36 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.266 178.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.424 HD12 HG23 ' A' ' 64' ' ' ILE . 50.9 mt -62.53 -23.56 67.03 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.156 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 63.2 p -66.21 -48.67 69.86 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 121.084 -0.247 . . . . 0.0 111.663 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.453 HG23 ' N ' ' A' ' 70' ' ' ARG . 9.8 t -106.2 -38.36 6.28 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.163 0.506 . . . . 0.0 109.821 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.535 ' N ' ' O ' ' A' ' 66' ' ' ARG . 8.6 tpt180 51.04 -104.37 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.144 179.187 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 28.2 ttt180 -81.34 -74.18 0.34 Allowed 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.886 -0.325 . . . . 0.0 110.722 -179.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.586 -179.998 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m 57.73 56.39 7.15 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.661 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -68.62 -17.06 43.06 Favored 'Trans proline' 0 C--N 1.307 -1.65 0 C-N-CA 122.675 2.25 . . . . 0.0 112.144 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 16.4 mmtm -74.93 -5.29 43.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.538 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -94.91 163.13 13.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.633 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -97.54 158.08 15.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.424 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.57 -53.7 47.41 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.757 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -76.15 -11.4 19.45 Favored 'Trans proline' 0 N--CA 1.492 1.421 0 C-N-CA 121.914 1.743 . . . . 0.0 112.77 -179.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -52.53 -35.25 53.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.843 0.354 . . . . 0.0 110.633 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.1 m -54.59 -33.87 61.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.837 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -112.33 132.95 54.71 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.01 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.422 ' C ' ' H ' ' A' ' 14' ' ' GLN . 85.8 m-20 -130.33 4.22 4.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.138 179.535 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -79.19 29.3 0.22 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.376 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.422 ' H ' ' C ' ' A' ' 12' ' ' ASP . 94.8 mt-30 -51.4 -50.77 58.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.564 -179.095 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.6 t -83.56 -33.32 25.46 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.517 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 tp -79.92 -3.53 48.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.217 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -72.96 -48.76 33.85 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.355 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.644 HG22 HG23 ' A' ' 22' ' ' VAL . 14.7 mm -95.09 -15.4 7.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.254 -179.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.426 ' O ' ' N ' ' A' ' 21' ' ' LEU . . . -47.18 -91.7 0.01 OUTLIER Glycine 0 CA--C 1.528 0.888 0 C-N-CA 121.083 -0.579 . . . . 0.0 111.886 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -35.3 -32.52 0.03 OUTLIER Glycine 0 CA--C 1.528 0.886 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 -179.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 19' ' ' GLY . 8.6 mp -69.05 -51.0 43.46 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -179.235 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.644 HG23 HG22 ' A' ' 18' ' ' ILE . 18.4 t -65.73 -50.12 73.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -178.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.566 HG23 ' N ' ' A' ' 24' ' ' ALA . 15.7 tt -57.83 -45.33 87.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.636 -179.38 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.566 ' N ' HG23 ' A' ' 23' ' ' ILE . . . -57.42 -36.37 71.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.024 0.44 . . . . 0.0 109.949 179.585 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.57 -43.22 99.31 Favored Glycine 0 CA--C 1.527 0.837 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.606 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 11.8 mm -62.55 -42.97 97.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.191 -179.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 27.8 tp -60.35 -48.09 83.26 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 120.673 -0.411 . . . . 0.0 111.547 -178.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -71.72 -36.71 70.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.031 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 32.7 mt -65.71 -45.79 90.92 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.2 tp -64.48 -34.44 78.23 Favored 'General case' 0 N--CA 1.437 -1.104 0 N-CA-C 105.093 -2.188 . . . . 0.0 105.093 176.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.599 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -58.35 -51.87 56.09 Favored Glycine 0 CA--C 1.532 1.104 0 CA-C-N 113.233 -1.803 . . . . 0.0 111.536 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.9 mt -66.85 -44.87 88.71 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.158 0 CA-C-O 120.75 0.309 . . . . 0.0 111.127 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.7 mp -60.56 -46.3 90.7 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 26.1 mt -60.61 -44.83 97.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.464 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 31' ' ' GLY . 74.2 t -57.1 -51.56 67.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.636 -179.378 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.3 mt -66.26 -34.2 77.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.709 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.461 ' O ' ' SG ' ' A' ' 40' ' ' CYS . 51.1 m -61.95 -35.92 79.88 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.242 -179.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.4 mmt-85 -57.87 -35.79 71.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.736 0.303 . . . . 0.0 110.797 -179.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -61.84 -27.59 68.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.559 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.586 ' SG ' ' N ' ' A' ' 41' ' ' ARG . 1.0 OUTLIER -62.08 -43.95 97.73 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.036 -179.473 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.586 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 36.9 ttm180 -57.94 -45.04 87.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.785 0.326 . . . . 0.0 110.769 -179.576 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 12.1 m -73.73 -34.56 64.83 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.799 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.7 mttm -77.99 -29.12 49.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.758 -179.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -65.76 -47.11 76.33 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.604 -0.439 . . . . 0.0 111.044 -179.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -87.81 109.41 19.72 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.694 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.422 ' O ' ' O ' ' A' ' 49' ' ' ARG . 26.9 pt20 -68.41 -34.91 76.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.234 179.723 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -60.03 -36.0 76.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.376 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -63.23 -43.75 97.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.508 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.422 ' O ' ' O ' ' A' ' 46' ' ' GLN . 59.3 ttp180 -143.73 142.31 30.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.409 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.1 m -83.87 134.91 34.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.502 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -163.95 -167.44 24.45 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -73.31 157.22 88.4 Favored Pre-proline 0 CA--C 1.533 0.296 0 C-N-CA 121.022 -0.271 . . . . 0.0 110.292 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.422 ' O ' ' OD1' ' A' ' 54' ' ' ASP . 82.3 Cg_exo -38.82 141.35 0.35 Allowed 'Trans proline' 0 C--N 1.314 -1.255 0 C-N-CA 122.407 2.071 . . . . 0.0 112.094 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.422 ' OD1' ' O ' ' A' ' 53' ' ' PRO . 97.6 m-20 -138.7 163.63 31.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.574 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -68.89 169.4 11.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.295 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -44.59 145.46 0.88 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.336 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -51.56 139.93 19.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.074 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -129.51 139.75 11.2 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.4 p -148.55 54.72 1.01 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -69.9 -44.57 69.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.014 -178.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 -62.15 -32.79 73.43 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.275 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.15 -32.38 72.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.873 -179.581 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.8 t -63.16 -31.28 72.38 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.016 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.8 tt -63.72 -33.16 60.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.283 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.56 HH21 HH22 ' A' ' 41' ' ' ARG . 92.1 mtt-85 -58.04 -32.81 68.35 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.504 ' O ' ' N ' ' A' ' 70' ' ' ARG . 31.7 ttm180 -55.82 -35.72 66.66 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 178.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.6 tp -57.51 -22.41 43.95 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.984 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.3 m -68.99 -48.84 62.12 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -178.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 70' ' ' ARG . 3.5 m -105.19 -34.6 7.86 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 -179.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER 16.33 58.79 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.9 0 O-C-N 124.863 1.352 . . . . 0.0 113.224 179.827 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 -81.42 152.71 27.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.928 179.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 117.939 -1.029 . . . . 0.0 110.984 -179.627 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -137.36 162.56 54.45 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.408 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -69.41 -14.26 36.89 Favored 'Trans proline' 0 C--N 1.31 -1.484 0 C-N-CA 122.509 2.139 . . . . 0.0 112.135 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.8 mtmm -74.84 -5.15 41.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.659 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -97.69 151.87 19.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.528 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 79.3 m80 -124.83 140.37 52.99 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.557 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.413 ' OD2' ' OG1' ' A' ' 10' ' ' THR . 21.9 t0 42.54 56.14 10.59 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.723 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -69.08 -21.13 37.12 Favored 'Trans proline' 0 C--N 1.307 -1.656 0 C-N-CA 122.649 2.233 . . . . 0.0 112.108 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -58.16 -38.97 77.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.761 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.413 ' OG1' ' OD2' ' A' ' 7' ' ' ASP . 30.4 p -108.37 154.12 22.29 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.611 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -112.78 145.25 40.9 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.434 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -53.42 -34.68 58.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.882 0.372 . . . . 0.0 110.227 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -82.21 30.26 0.4 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.143 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -51.17 -52.02 48.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.358 -179.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 83.6 p -82.99 -30.75 27.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.766 0.317 . . . . 0.0 111.419 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 tp -82.13 -3.7 55.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.467 -179.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -74.95 -47.65 28.49 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.979 -0.289 . . . . 0.0 111.261 -179.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.778 HG22 HG23 ' A' ' 22' ' ' VAL . 12.8 mm -95.02 -16.97 7.22 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-O 120.705 0.288 . . . . 0.0 111.001 -179.342 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' A' ' 21' ' ' LEU . . . -44.69 -92.51 0.01 OUTLIER Glycine 0 CA--C 1.528 0.903 0 C-N-CA 121.123 -0.56 . . . . 0.0 111.71 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.482 ' HA2' HD11 ' A' ' 23' ' ' ILE . . . -35.45 -29.78 0.02 OUTLIER Glycine 0 CA--C 1.526 0.763 0 N-CA-C 112.101 -0.4 . . . . 0.0 112.101 -179.26 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 19' ' ' GLY . 6.5 mp -70.82 -48.64 53.0 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -179.249 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.778 HG23 HG22 ' A' ' 18' ' ' ILE . 47.7 t -68.33 -49.47 66.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -178.733 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.482 HD11 ' HA2' ' A' ' 20' ' ' GLY . 12.1 pt -64.2 -39.09 84.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 121.08 -0.248 . . . . 0.0 111.593 -179.095 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.63 -48.82 79.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.073 0.463 . . . . 0.0 110.695 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.84 -35.81 87.9 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 53.1 mt -62.71 -42.58 96.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.989 -0.284 . . . . 0.0 111.59 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.3 tp -63.49 -48.01 79.39 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 120.839 -0.344 . . . . 0.0 111.132 -179.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.529 ' N ' ' CD1' ' A' ' 28' ' ' PHE . 0.5 OUTLIER -69.46 -37.0 77.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.542 179.63 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 12.1 mt -61.69 -42.75 95.5 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.448 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 mt -64.42 -34.12 77.45 Favored 'General case' 0 N--CA 1.432 -1.356 0 N-CA-C 105.186 -2.153 . . . . 0.0 105.186 175.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.636 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -59.14 -52.2 54.73 Favored Glycine 0 CA--C 1.533 1.214 0 CA-C-N 113.434 -1.712 . . . . 0.0 112.023 -179.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 81.5 mt -64.17 -44.59 97.57 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 O-C-N 122.724 -0.28 . . . . 0.0 111.358 -179.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.3 mt -64.66 -45.92 84.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.137 0.494 . . . . 0.0 109.762 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 34.7 mt -60.46 -44.68 96.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.339 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 31' ' ' GLY . 54.7 t -56.49 -52.23 55.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.684 -179.17 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 83.1 mt -66.11 -31.55 72.47 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.712 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 48.7 m -60.53 -35.55 76.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.49 -179.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 16.6 mmm180 -57.49 -36.87 72.06 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 120.084 -0.646 . . . . 0.0 110.38 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 42.6 mtp180 -58.8 -32.77 69.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.538 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.428 ' O ' ' N ' ' A' ' 44' ' ' PHE . 4.0 t -58.7 -46.36 87.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.795 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.6 ttt180 -56.54 -45.16 81.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.716 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.8 m -76.32 -36.14 58.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.017 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 33.0 mttt -76.95 -24.59 52.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.687 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.526 ' CD2' ' OD1' ' A' ' 45' ' ' ASN . 71.6 t80 -65.77 -49.84 66.9 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.314 -0.554 . . . . 0.0 111.189 -178.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.526 ' OD1' ' CD2' ' A' ' 44' ' ' PHE . 17.2 p30 141.62 15.5 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.06 0 O-C-N 124.662 1.226 . . . . 0.0 109.596 179.369 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 35.2 tp60 -57.47 -39.35 76.18 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.68 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -60.16 -34.32 73.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.012 0.434 . . . . 0.0 110.112 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.445 ' O ' ' CB ' ' A' ' 49' ' ' ARG . 89.6 mt-30 -79.62 -20.64 46.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.782 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.445 ' CB ' ' O ' ' A' ' 48' ' ' GLN . 5.8 tpt180 79.65 160.54 0.18 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.499 -179.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 35.9 m -78.3 150.45 33.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.773 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 148.6 8.73 0.19 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.896 -0.881 . . . . 0.0 110.896 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.448 ' O ' ' O ' ' A' ' 53' ' ' PRO . 0.3 OUTLIER -107.39 158.39 33.28 Favored Pre-proline 0 CA--C 1.532 0.256 0 N-CA-C 110.431 -0.211 . . . . 0.0 110.431 -179.833 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.448 ' O ' ' O ' ' A' ' 52' ' ' GLU . 33.6 Cg_exo -45.9 -178.29 0.0 OUTLIER 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 122.563 2.175 . . . . 0.0 112.485 179.569 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.422 ' OD1' ' O ' ' A' ' 54' ' ' ASP . 45.6 p30 -37.7 142.45 0.14 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.996 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -135.16 176.6 8.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.059 -179.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -102.91 -161.55 0.85 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.698 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.405 ' O ' ' CD1' ' A' ' 44' ' ' PHE . 10.5 tt0 -73.72 163.12 28.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.667 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 152.61 -32.17 0.83 Allowed Glycine 0 CA--C 1.524 0.596 0 N-CA-C 109.93 -1.268 . . . . 0.0 109.93 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 25.4 p -104.57 22.41 15.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.931 0.396 . . . . 0.0 110.051 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -67.2 -43.05 83.09 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 179.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 5.3 ttt85 -61.0 -32.21 71.79 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.425 178.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.6 m -61.17 -33.33 73.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.361 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.0 p -64.17 -31.49 72.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.847 0.356 . . . . 0.0 110.271 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 76.3 mt -63.89 -33.59 62.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.214 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.49 -30.97 67.42 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.166 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.515 ' O ' ' N ' ' A' ' 70' ' ' ARG . 91.6 mtt-85 -56.73 -35.54 68.69 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 179.452 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.43 ' O ' ' O ' ' A' ' 71' ' ' ARG . 48.2 mt -58.17 -22.64 52.27 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.463 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 60.7 p -67.98 -48.47 65.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.446 -179.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -106.17 -37.97 6.42 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.24 -179.402 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.515 ' N ' ' O ' ' A' ' 66' ' ' ARG . 19.4 ttp85 -75.47 -0.26 19.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.361 -179.299 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -153.77 118.55 4.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.914 0.388 . . . . 0.0 110.732 -179.911 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 57.7 ttt85 . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.643 179.849 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 t 56.09 57.42 9.61 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.665 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -69.65 -23.38 31.36 Favored 'Trans proline' 0 C--N 1.307 -1.629 0 C-N-CA 122.614 2.21 . . . . 0.0 112.184 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 38.7 mmtt -74.92 -9.9 58.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.466 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -102.51 159.96 14.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.636 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -124.7 150.39 46.21 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.381 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -135.91 161.51 62.26 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.488 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -69.8 -24.62 29.31 Favored 'Trans proline' 0 N--CA 1.493 1.462 0 C-N-CA 122.396 2.064 . . . . 0.0 112.184 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -52.81 -29.05 25.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.649 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.473 HG22 ' CE2' ' A' ' 11' ' ' TYR . 15.7 m -52.74 -39.95 62.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.628 -179.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.473 ' CE2' HG22 ' A' ' 10' ' ' THR . 84.8 m-85 -137.4 132.33 33.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.93 0.395 . . . . 0.0 110.797 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 11' ' ' TYR . 67.2 m-20 -156.42 -8.17 0.1 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.381 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -79.57 30.38 0.24 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.626 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.406 ' H ' ' C ' ' A' ' 12' ' ' ASP . 26.0 mt-30 -51.26 -51.71 51.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.364 -179.341 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 85.4 p -80.63 -34.87 34.66 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.654 -179.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -80.25 -3.27 48.51 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.472 -179.262 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -72.86 -45.57 57.63 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.277 -179.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.63 HG22 HG23 ' A' ' 22' ' ' VAL . 13.7 mm -97.56 -19.12 6.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.269 -179.025 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.491 ' O ' ' N ' ' A' ' 21' ' ' LEU . . . -43.71 -93.91 0.01 OUTLIER Glycine 0 CA--C 1.529 0.925 0 C-N-CA 120.99 -0.624 . . . . 0.0 111.648 -179.399 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.497 ' HA2' HD11 ' A' ' 23' ' ' ILE . . . -32.89 -31.9 0.01 OUTLIER Glycine 0 CA--C 1.527 0.781 0 O-C-N 123.676 0.28 . . . . 0.0 112.438 -179.228 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 19' ' ' GLY . 8.5 mp -70.8 -50.82 31.56 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -179.285 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.63 HG23 HG22 ' A' ' 18' ' ' ILE . 16.4 t -67.02 -50.75 61.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 C-N-CA 120.495 -0.482 . . . . 0.0 112.046 -178.502 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.497 HD11 ' HA2' ' A' ' 20' ' ' GLY . 11.5 pt -59.2 -39.56 79.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.564 -0.455 . . . . 0.0 110.611 -179.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.43 -37.54 81.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.211 0.529 . . . . 0.0 109.931 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.74 -40.62 98.69 Favored Glycine 0 CA--C 1.524 0.609 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.665 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.6 mm -63.73 -41.64 93.26 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-N 117.125 0.463 . . . . 0.0 111.12 -179.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 27.8 tp -61.3 -48.59 80.68 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.491 -0.484 . . . . 0.0 111.208 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -71.88 -36.64 70.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.515 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.6 mt -67.62 -43.85 86.6 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.256 0 CA-C-O 121.282 0.563 . . . . 0.0 109.511 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.8 tp -65.02 -34.71 79.09 Favored 'General case' 0 N--CA 1.434 -1.247 0 N-CA-C 105.395 -2.076 . . . . 0.0 105.395 176.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.756 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -60.4 -52.42 52.75 Favored Glycine 0 CA--C 1.532 1.152 0 CA-C-N 113.206 -1.815 . . . . 0.0 111.777 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 87.4 mt -63.13 -44.76 99.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 O-C-N 122.627 -0.337 . . . . 0.0 110.892 -179.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.7 mt -62.76 -45.06 94.43 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 18.1 mt -60.6 -44.96 97.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.376 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.756 HG23 ' O ' ' A' ' 31' ' ' GLY . 86.4 t -56.77 -52.03 59.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.817 -179.19 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.6 mp -65.96 -33.16 75.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.859 0.361 . . . . 0.0 110.736 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 55.2 m -61.21 -36.12 79.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.373 -179.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.675 HH21 ' NH2' ' A' ' 61' ' ' ARG . 0.2 OUTLIER -57.76 -40.13 79.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.697 0.284 . . . . 0.0 110.9 -179.41 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 36.3 ttt180 -58.86 -31.18 68.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.055 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 5.1 t -58.42 -45.56 88.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.377 -179.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 59.5 ttp85 -56.33 -40.03 73.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.926 -179.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.43 -47.48 19.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.137 -179.447 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 36.6 mtpt -60.69 -35.21 75.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.646 -179.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -65.23 -47.88 75.26 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.1 0.408 . . . . 0.0 112.1 -178.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.554 ' CB ' HE21 ' A' ' 48' ' ' GLN . 11.0 t-20 -71.45 110.2 5.9 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.901 -179.553 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -60.14 -34.77 74.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.074 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -56.07 -45.42 79.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.223 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.554 HE21 ' CB ' ' A' ' 45' ' ' ASN . 53.7 mt-30 -70.56 -41.09 72.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.127 179.592 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 48.2 ttt-85 -157.04 114.83 3.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.175 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.0 m -103.9 138.15 40.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.74 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 143.19 -48.05 0.78 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.246 -0.741 . . . . 0.0 111.246 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -74.4 154.42 87.93 Favored Pre-proline 0 CA--C 1.535 0.369 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.753 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -43.59 162.14 0.06 OUTLIER 'Trans proline' 0 N--CA 1.491 1.369 0 C-N-CA 122.169 1.912 . . . . 0.0 112.351 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -66.06 -25.93 67.26 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.317 179.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 63.04 123.99 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.842 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -61.63 -41.59 97.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.035 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -102.58 151.44 22.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.339 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.48 ' C ' ' H ' ' A' ' 60' ' ' PHE . . . 173.14 -80.78 0.08 OUTLIER Glycine 0 CA--C 1.52 0.377 0 N-CA-C 110.439 -1.064 . . . . 0.0 110.439 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.26 8.71 0.93 Allowed 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 179.237 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.48 ' H ' ' C ' ' A' ' 58' ' ' GLY . 88.0 t80 -66.54 -42.5 87.08 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 179.072 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.675 ' NH2' HH21 ' A' ' 38' ' ' ARG . 8.2 ttt180 -59.14 -33.33 70.77 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.291 -0.868 . . . . 0.0 108.792 178.303 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.2 m -61.53 -34.13 75.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.192 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.7 p -66.11 -33.52 75.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.002 0.429 . . . . 0.0 109.922 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.7 mm -62.3 -32.15 53.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.238 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 23.6 mtp-105 -57.59 -30.02 64.95 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.286 -0.566 . . . . 0.0 109.841 179.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.541 ' O ' ' N ' ' A' ' 70' ' ' ARG . 0.6 OUTLIER -54.77 -35.0 63.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.136 -179.62 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.0 -21.66 59.34 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.024 179.38 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.2 m -69.64 -49.08 57.18 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 120.62 -0.432 . . . . 0.0 111.498 -178.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -107.27 -39.19 5.76 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.917 0.389 . . . . 0.0 111.099 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.541 ' N ' ' O ' ' A' ' 66' ' ' ARG . 4.9 tpt180 -77.95 39.65 0.3 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.456 -179.233 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 62.7 ttt-85 -138.89 -56.91 0.62 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.856 0.36 . . . . 0.0 110.13 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 117.944 -1.026 . . . . 0.0 110.476 179.97 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m 55.22 57.78 10.87 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.692 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -70.69 -13.54 32.41 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.683 2.255 . . . . 0.0 112.095 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 38.5 mmtm -74.9 -5.08 41.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.588 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -72.78 151.97 41.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.557 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -90.93 142.2 28.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.515 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 7' ' ' ASP . 0.0 OUTLIER -81.04 162.27 60.1 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.542 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -69.25 -17.95 39.66 Favored 'Trans proline' 0 C--N 1.31 -1.469 0 C-N-CA 122.574 2.183 . . . . 0.0 112.211 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -52.74 -34.44 52.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.754 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 29.3 m -54.59 -36.44 64.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.709 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -110.86 132.16 54.44 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.004 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 55.6 p30 -99.61 7.54 45.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.354 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -80.43 31.0 0.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.388 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 93.6 mm-40 -51.48 -52.11 49.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.497 -179.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 84.2 p -83.99 -31.26 25.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.602 -179.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.5 tp -81.24 -3.16 51.52 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.639 -179.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -74.57 -50.11 19.23 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.464 -179.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.613 HG22 HG23 ' A' ' 22' ' ' VAL . 13.5 mm -90.31 -22.57 6.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.813 0.339 . . . . 0.0 111.393 -179.138 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.491 ' O ' ' N ' ' A' ' 21' ' ' LEU . . . -39.65 -95.24 0.01 OUTLIER Glycine 0 CA--C 1.528 0.874 0 N-CA-C 111.898 -0.481 . . . . 0.0 111.898 -179.51 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.497 ' HA2' HD11 ' A' ' 23' ' ' ILE . . . -32.12 -32.26 0.01 OUTLIER Glycine 0 CA--C 1.526 0.774 0 CA-C-N 115.691 -0.255 . . . . 0.0 112.745 -179.217 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 19' ' ' GLY . 20.3 mt -71.51 -51.05 25.7 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.679 -179.038 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.613 HG23 HG22 ' A' ' 18' ' ' ILE . 10.6 t -65.59 -50.94 68.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 C-N-CA 120.591 -0.444 . . . . 0.0 111.976 -178.615 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.497 HD11 ' HA2' ' A' ' 20' ' ' GLY . 10.8 pt -59.09 -42.21 85.84 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.75 -179.422 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.24 -35.12 73.11 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.248 0.547 . . . . 0.0 109.978 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.57 -39.36 93.87 Favored Glycine 0 CA--C 1.526 0.755 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.84 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.3 mm -64.4 -44.6 97.13 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-N 117.205 0.503 . . . . 0.0 111.409 -178.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.1 tp -61.63 -47.85 83.52 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.118 -178.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.518 ' CZ ' HD11 ' A' ' 32' ' ' ILE . 57.6 t80 -70.23 -37.57 75.02 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.895 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 16.5 mt -63.56 -42.38 95.94 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.513 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 179.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.4 mt -64.61 -33.48 76.02 Favored 'General case' 0 N--CA 1.432 -1.342 0 N-CA-C 104.878 -2.267 . . . . 0.0 104.878 175.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.628 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -56.61 -50.57 62.25 Favored Glycine 0 CA--C 1.531 1.071 0 CA-C-N 113.825 -1.534 . . . . 0.0 111.462 -179.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.518 HD11 ' CZ ' ' A' ' 28' ' ' PHE . 33.3 mm -69.47 -44.75 79.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-N 116.929 0.365 . . . . 0.0 111.406 -179.434 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.4 mt -62.65 -47.43 83.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.035 0.445 . . . . 0.0 110.432 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 58.9 mt -60.38 -44.56 96.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.354 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 31' ' ' GLY . 43.6 t -56.41 -52.42 52.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.778 -179.072 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 78.6 mt -66.55 -33.07 74.86 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.776 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 51.1 m -61.89 -37.36 84.29 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.586 -179.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.9 ptt-85 -57.53 -31.57 66.21 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.641 -0.423 . . . . 0.0 110.452 -179.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.3 ttp180 -66.01 -31.58 72.55 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.403 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 50.0 m -57.59 -49.61 75.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.023 -179.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 33.1 ttp180 -55.02 -37.98 67.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.783 0.325 . . . . 0.0 110.541 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.2 m -72.45 -40.23 67.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.089 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 38.1 mtmt -77.98 -22.7 49.0 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -179.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.491 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 2.0 m-85 -64.54 -50.36 67.63 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.355 -0.538 . . . . 0.0 111.907 -177.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 44' ' ' PHE . 6.8 m-20 158.75 14.19 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 120.981 0.42 . . . . 0.0 110.332 179.573 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.423 ' O ' ' O ' ' A' ' 49' ' ' ARG . 7.1 tm0? -57.27 -35.73 70.13 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.513 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -65.71 -29.23 69.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.929 0.395 . . . . 0.0 110.272 179.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -57.13 -38.24 73.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.782 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.495 ' NH1' ' OE2' ' A' ' 52' ' ' GLU . 3.6 ptm180 -158.05 157.89 33.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.76 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.09 160.24 15.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.373 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -55.84 137.66 45.92 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.495 ' OE2' ' NH1' ' A' ' 49' ' ' ARG . 0.7 OUTLIER -110.53 157.68 37.61 Favored Pre-proline 0 CA--C 1.533 0.312 0 N-CA-C 110.594 -0.15 . . . . 0.0 110.594 -179.885 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.433 ' O ' ' O ' ' A' ' 52' ' ' GLU . 52.9 Cg_exo -42.98 174.38 0.0 OUTLIER 'Trans proline' 0 N--CA 1.491 1.356 0 C-N-CA 122.418 2.079 . . . . 0.0 112.623 179.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 56.74 -172.05 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.899 179.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -52.72 143.2 16.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.847 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.9 tp10 -107.45 145.29 33.21 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.633 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -141.42 58.24 1.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.496 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' A' ' 59' ' ' THR . . . -85.72 -135.94 3.86 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.431 ' O ' ' O ' ' A' ' 58' ' ' GLY . 82.7 p -51.66 -171.93 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.896 0.379 . . . . 0.0 110.704 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.23 -43.85 73.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.203 0.525 . . . . 0.0 109.654 179.604 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 43.0 mtp85 -61.53 -32.27 72.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.741 178.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.68 -33.5 72.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.647 -179.536 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.9 t -64.28 -30.28 71.34 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.591 -0.444 . . . . 0.0 109.895 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 49.4 mt -62.65 -33.12 58.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.036 179.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 50.7 ttt180 -57.84 -29.62 65.12 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.545 ' O ' ' N ' ' A' ' 70' ' ' ARG . 33.1 ttp180 -54.94 -35.3 64.08 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.184 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.15 -22.44 62.88 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.71 179.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 18.9 m -65.21 -48.56 72.95 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.542 -179.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 20.8 p -106.15 -38.97 6.1 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.413 0.625 . . . . 0.0 109.65 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.545 ' N ' ' O ' ' A' ' 66' ' ' ARG . 53.0 ttt-85 69.48 -77.9 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.931 -1.031 . . . . 0.0 111.708 179.059 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 72.0 mtp85 -132.51 151.88 51.75 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.019 0.438 . . . . 0.0 110.927 -179.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 77.5 mtm180 . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.583 -179.908 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 m -133.8 58.51 32.78 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.683 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -71.27 -13.64 30.95 Favored 'Trans proline' 0 C--N 1.307 -1.626 0 C-N-CA 122.611 2.207 . . . . 0.0 112.073 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -75.02 -7.51 53.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.749 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -69.24 150.71 47.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.589 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -89.13 152.88 21.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.534 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -56.18 -50.77 85.57 Favored Pre-proline 0 CA--C 1.536 0.413 0 CA-C-N 116.14 -0.482 . . . . 0.0 112.107 -179.509 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -76.23 -9.68 19.1 Favored 'Trans proline' 0 N--CA 1.493 1.448 0 C-N-CA 121.855 1.703 . . . . 0.0 112.988 -179.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -56.52 -28.99 61.34 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.661 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 41.0 m -51.37 -35.29 38.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.205 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -116.08 134.33 55.06 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.946 -179.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -105.01 3.34 30.48 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.201 179.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.416 ' O ' ' N ' ' A' ' 17' ' ' GLN . 28.6 m-85 -82.32 29.79 0.42 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.493 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -51.76 -50.68 60.18 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.476 -179.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 83.9 p -83.61 -30.45 26.92 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.514 -179.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 tp -81.73 -9.25 59.69 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.292 -179.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 13' ' ' TYR . 9.8 mm-40 -68.86 -49.28 59.66 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.332 -179.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.681 HG22 HG23 ' A' ' 22' ' ' VAL . 13.9 mm -96.37 -8.73 9.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.906 0.384 . . . . 0.0 111.103 -179.246 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.06 -84.69 0.03 OUTLIER Glycine 0 CA--C 1.528 0.899 0 C-N-CA 121.171 -0.538 . . . . 0.0 111.912 -179.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.471 ' HA2' HD11 ' A' ' 23' ' ' ILE . . . -41.05 -32.3 0.57 Allowed Glycine 0 CA--C 1.527 0.823 0 N-CA-C 112.262 -0.335 . . . . 0.0 112.262 -178.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.3 mp -68.95 -51.19 42.28 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -178.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.681 HG23 HG22 ' A' ' 18' ' ' ILE . 85.6 t -63.0 -49.94 81.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -178.403 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.471 HD11 ' HA2' ' A' ' 20' ' ' GLY . 10.8 pt -60.23 -42.22 89.63 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 C-N-CA 120.601 -0.439 . . . . 0.0 111.198 -179.065 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.24 -34.94 72.82 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.501 -0.48 . . . . 0.0 109.813 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.62 -39.9 95.67 Favored Glycine 0 CA--C 1.528 0.873 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.779 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.408 HG22 HD12 ' A' ' 30' ' ' LEU . 14.7 mm -64.86 -44.38 96.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.277 -0.569 . . . . 0.0 111.509 -179.116 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.4 tp -61.09 -47.84 84.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.925 0.393 . . . . 0.0 111.237 -178.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.46 ' CZ ' HD11 ' A' ' 32' ' ' ILE . 54.9 t80 -70.96 -37.47 72.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.022 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 21.6 mt -63.53 -43.92 98.5 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.509 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 179.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.408 HD12 HG22 ' A' ' 26' ' ' ILE . 4.0 mt -64.14 -32.99 74.76 Favored 'General case' 0 N--CA 1.432 -1.347 0 N-CA-C 104.558 -2.386 . . . . 0.0 104.558 175.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.552 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -56.18 -50.86 59.46 Favored Glycine 0 CA--C 1.531 1.042 0 CA-C-N 113.476 -1.693 . . . . 0.0 111.153 -179.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.46 HD11 ' CZ ' ' A' ' 28' ' ' PHE . 28.9 mm -70.49 -44.75 76.8 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 116.949 0.374 . . . . 0.0 111.315 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.6 mp -60.95 -48.21 82.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.143 0.497 . . . . 0.0 110.779 -179.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 66.4 mt -60.55 -44.44 96.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.356 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 31' ' ' GLY . 40.4 t -56.62 -51.06 70.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.474 -179.453 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.6 tp -66.2 -32.42 73.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.466 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.494 ' O ' ' SG ' ' A' ' 40' ' ' CYS . 11.3 t -62.63 -35.9 81.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.477 -179.632 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 10.9 mmt180 -57.63 -35.87 71.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.198 -179.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.4 mmt85 -63.23 -30.79 71.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.783 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.577 ' SG ' ' N ' ' A' ' 41' ' ' ARG . 1.4 p -58.17 -40.53 81.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.311 -179.457 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.577 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 61.5 ttp85 -61.91 -45.68 92.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.3 -179.376 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.41 -32.74 54.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.402 -179.363 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.1 mmmt -75.22 -33.51 61.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.612 -179.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.5 ' CE2' ' OG1' ' A' ' 59' ' ' THR . 2.1 t80 -66.38 -46.99 74.79 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.608 -179.295 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -70.87 107.92 4.25 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.804 0.335 . . . . 0.0 110.678 -179.416 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -59.41 -34.96 73.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.703 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -59.38 -47.01 87.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.742 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -67.22 -42.78 83.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.485 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.0 ttt180 -160.52 137.4 9.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.437 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.7 m -99.63 136.89 38.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.56 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -142.97 -118.28 1.32 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -108.21 102.34 45.97 Favored Pre-proline 0 CA--C 1.54 0.594 0 CA-C-O 119.415 -0.326 . . . . 0.0 110.625 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -53.36 136.71 63.69 Favored 'Trans proline' 0 N--CA 1.494 1.558 0 C-N-CA 121.428 1.419 . . . . 0.0 111.896 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -171.67 -162.38 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.683 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -94.47 -159.96 0.74 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.484 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 57.84 72.19 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.875 0.369 . . . . 0.0 110.289 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -63.71 132.72 51.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.719 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.447 ' H ' ' HB2' ' A' ' 44' ' ' PHE . . . -74.69 -14.86 80.97 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 110.423 -1.071 . . . . 0.0 110.423 179.485 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.5 ' OG1' ' CE2' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -70.45 7.03 1.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.786 0.327 . . . . 0.0 110.268 179.794 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.425 ' H ' ' C ' ' A' ' 58' ' ' GLY . 39.7 t80 -68.44 -39.69 81.41 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 179.482 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -60.27 -32.64 71.36 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.859 179.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.3 p -61.2 -32.86 72.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.408 -179.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.9 m -63.87 -33.25 75.28 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.403 -178.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.442 ' H ' HG23 ' A' ' 64' ' ' ILE . 0.8 OUTLIER -64.3 -32.23 56.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 C-N-CA 120.598 -0.441 . . . . 0.0 111.055 179.892 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -57.69 -30.47 65.51 Favored 'General case' 0 CA--C 1.519 -0.245 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.535 ' O ' ' N ' ' A' ' 70' ' ' ARG . 91.9 mtt-85 -55.63 -34.04 64.57 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 178.039 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.3 tp -56.35 -22.6 32.02 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.813 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 24.3 t -69.33 -48.96 59.87 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.856 -179.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 68.8 p -106.14 -39.2 6.03 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.379 0.609 . . . . 0.0 109.883 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.535 ' N ' ' O ' ' A' ' 66' ' ' ARG . 27.5 ttm180 61.06 -85.31 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.839 178.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 69.9 mtm-85 -58.49 147.03 33.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.838 0.352 . . . . 0.0 110.787 -179.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 50.0 ttt85 . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.408 -179.733 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.521 ' N ' ' OE1' ' A' ' 5' ' ' GLU . 77.4 mm-40 . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.91 162.43 55.85 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.411 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -69.65 -19.36 36.75 Favored 'Trans proline' 0 C--N 1.309 -1.506 0 C-N-CA 122.562 2.175 . . . . 0.0 112.142 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -74.94 -5.0 41.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.628 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.521 ' OE1' ' N ' ' A' ' 1' ' ' GLU . 95.1 mt-10 -89.16 150.13 22.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.676 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -104.48 151.07 24.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.541 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.23 162.22 73.92 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.398 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -69.28 -26.71 29.57 Favored 'Trans proline' 0 N--CA 1.493 1.487 0 C-N-CA 122.475 2.117 . . . . 0.0 112.238 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -54.68 -42.05 70.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.625 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 51.0 p -72.56 -11.4 60.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.695 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -109.27 133.38 53.11 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.101 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.441 ' C ' ' H ' ' A' ' 14' ' ' GLN . 58.6 t0 -142.23 -3.9 1.05 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.958 179.643 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -76.74 32.45 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.555 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.441 ' H ' ' C ' ' A' ' 12' ' ' ASP . 26.6 mt-30 -51.4 -49.97 60.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.553 -179.045 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 83.5 p -84.12 -31.28 25.32 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -179.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 tp -79.02 -3.15 43.71 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -178.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.83 -52.22 13.77 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.436 -179.343 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.706 HG22 HG23 ' A' ' 22' ' ' VAL . 8.0 mm -89.85 -16.39 8.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.858 0.361 . . . . 0.0 111.107 -178.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.495 ' O ' ' N ' ' A' ' 21' ' ' LEU . . . -44.67 -94.9 0.01 OUTLIER Glycine 0 CA--C 1.527 0.807 0 N-CA-C 111.645 -0.582 . . . . 0.0 111.645 -179.615 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.51 ' HA2' HD11 ' A' ' 23' ' ' ILE . . . -34.93 -29.19 0.01 OUTLIER Glycine 0 CA--C 1.525 0.715 0 N-CA-C 112.321 -0.312 . . . . 0.0 112.321 -179.323 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 19' ' ' GLY . 8.5 mp -72.15 -48.65 41.88 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -179.112 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.706 HG23 HG22 ' A' ' 18' ' ' ILE . 13.3 t -68.36 -50.12 60.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.948 -178.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.51 HD11 ' HA2' ' A' ' 20' ' ' GLY . 13.0 pt -61.82 -38.78 81.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.949 -179.285 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.89 -42.46 99.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.938 0.399 . . . . 0.0 110.919 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.09 -37.64 94.86 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.556 -0.617 . . . . 0.0 111.556 -179.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.86 -43.54 97.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 C-N-CA 120.889 -0.324 . . . . 0.0 111.341 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 36.6 tp -61.87 -47.25 85.84 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.638 -179.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.408 ' O ' ' N ' ' A' ' 31' ' ' GLY . 6.5 m-85 -67.23 -43.76 81.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.474 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 30.1 mt -58.84 -41.1 81.8 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.381 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 179.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.2 mt -65.02 -34.22 77.91 Favored 'General case' 0 N--CA 1.433 -1.29 0 N-CA-C 104.87 -2.271 . . . . 0.0 104.87 175.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.723 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -58.15 -52.33 53.14 Favored Glycine 0 CA--C 1.534 1.227 0 CA-C-N 113.355 -1.748 . . . . 0.0 112.003 -179.576 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.9 mm -66.72 -44.63 89.38 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 O-C-N 122.562 -0.376 . . . . 0.0 111.07 -179.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.8 mt -63.13 -46.57 86.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.927 0.394 . . . . 0.0 110.057 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.7 mt -60.59 -46.15 96.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.375 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 31' ' ' GLY . 77.8 t -56.78 -52.24 57.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 C-N-CA 120.776 -0.369 . . . . 0.0 110.871 -179.289 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.6 mp -66.05 -34.85 79.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.603 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 65.1 m -61.02 -35.87 78.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.844 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.5 mmt-85 -57.42 -41.81 81.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.456 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.7 ttt85 -57.19 -28.43 62.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.054 179.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.7 t -61.0 -46.2 91.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.896 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 69.2 mtp180 -54.83 -40.03 69.16 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.82 0.343 . . . . 0.0 110.855 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.29 -38.97 55.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.885 -179.685 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 50.8 mmtt -73.37 -27.81 61.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.994 -179.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -64.99 -48.12 75.11 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.82 -178.555 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -130.12 108.51 10.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.647 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -64.05 -34.77 78.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.191 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.417 ' OE1' ' OE2' ' A' ' 57' ' ' GLU . 92.8 mt-30 -56.89 -22.76 39.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.469 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 61.2 tp60 -55.74 -38.11 69.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.551 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 76.3 ttt-85 -112.45 77.43 1.04 Allowed 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.553 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.1 p -139.24 9.16 2.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.579 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.74 22.86 41.16 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -107.78 101.79 42.09 Favored Pre-proline 0 CA--C 1.541 0.624 0 CA-C-O 119.531 -0.271 . . . . 0.0 110.352 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -55.92 -22.32 37.59 Favored 'Trans proline' 0 N--CA 1.495 1.582 0 C-N-CA 121.532 1.488 . . . . 0.0 112.147 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -78.45 129.43 34.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.703 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.558 ' CD ' ' H ' ' A' ' 55' ' ' GLU . 2.0 pm0 -86.14 121.8 29.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.421 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -112.52 -178.0 3.29 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.582 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.417 ' OE2' ' OE1' ' A' ' 47' ' ' GLN . 19.0 mp0 49.08 -116.32 0.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.768 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 139.74 123.35 2.04 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.1 p -89.11 177.22 6.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.608 0.242 . . . . 0.0 110.577 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -69.72 -44.54 70.11 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 179.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 48.4 ttt85 -64.95 -32.73 74.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.058 -0.974 . . . . 0.0 109.416 178.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 45.6 m -61.93 -33.18 73.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.121 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 79.3 p -64.05 -28.02 69.51 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.118 0.485 . . . . 0.0 110.78 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.5 mm -62.65 -32.54 55.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.689 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -57.31 -28.65 63.25 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.346 -179.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.551 ' O ' ' N ' ' A' ' 70' ' ' ARG . 3.8 mtp-105 -54.69 -34.71 62.73 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.095 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 59.0 mt -59.45 -22.76 61.97 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.48 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.7 t -65.93 -48.45 71.36 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 111.614 0.227 . . . . 0.0 111.614 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.433 HG23 ' N ' ' A' ' 70' ' ' ARG . 15.0 t -105.3 -37.54 6.83 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.416 0.627 . . . . 0.0 109.514 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.551 ' N ' ' O ' ' A' ' 66' ' ' ARG . 5.5 ttp180 61.38 -168.44 0.18 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.92 -1.037 . . . . 0.0 111.93 178.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 45.7 ttt-85 -119.61 153.66 35.14 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.492 -179.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 60.0 ttt-85 . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.478 179.939 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -179.51 -52.78 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.393 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -78.89 -18.71 11.43 Favored 'Trans proline' 0 N--CA 1.49 1.295 0 C-N-CA 122.005 1.804 . . . . 0.0 112.212 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.9 mmtm -74.85 -4.97 41.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.554 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -69.7 151.69 45.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.661 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 50.1 p-80 -82.36 -11.54 58.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.606 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -132.17 62.74 65.28 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.575 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -73.46 -11.97 24.74 Favored 'Trans proline' 0 C--N 1.308 -1.569 0 C-N-CA 122.613 2.209 . . . . 0.0 112.176 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -53.88 -36.0 62.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.504 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.1 t -135.15 152.2 51.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.679 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.416 ' C ' ' N ' ' A' ' 13' ' ' TYR . 57.4 m-85 -115.35 136.99 52.52 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.376 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.472 ' C ' ' H ' ' A' ' 14' ' ' GLN . 88.1 m-20 -48.25 -18.88 0.24 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.961 0.41 . . . . 0.0 110.534 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.416 ' N ' ' C ' ' A' ' 11' ' ' TYR . 26.2 m-85 -76.74 30.67 0.13 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.264 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.472 ' H ' ' C ' ' A' ' 12' ' ' ASP . 69.7 mt-30 -51.54 -51.97 50.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.491 -179.014 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 79.9 p -82.41 -34.99 28.06 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -178.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.0 tp -77.41 -9.08 58.66 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.972 -0.291 . . . . 0.0 111.518 -178.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -67.59 -51.17 53.51 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.974 -0.291 . . . . 0.0 111.421 -179.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.706 HG22 HG23 ' A' ' 22' ' ' VAL . 15.3 mm -94.68 -10.37 9.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.87 0.367 . . . . 0.0 111.009 -179.061 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -51.22 -81.36 0.05 OUTLIER Glycine 0 CA--C 1.529 0.926 0 N-CA-C 111.832 -0.507 . . . . 0.0 111.832 -179.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.421 ' HA2' HD11 ' A' ' 23' ' ' ILE . . . -44.41 -29.65 1.82 Allowed Glycine 0 CA--C 1.528 0.851 0 C-N-CA 121.761 -0.257 . . . . 0.0 112.521 -178.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.8 mp -71.77 -47.33 54.29 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -178.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.706 HG23 HG22 ' A' ' 18' ' ' ILE . 42.1 t -66.19 -49.2 77.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -178.51 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.421 HD11 ' HA2' ' A' ' 20' ' ' GLY . 6.1 pt -64.43 -43.95 97.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.525 -179.024 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.22 -45.58 87.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.931 0.396 . . . . 0.0 110.507 -179.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.59 -40.68 96.69 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 80.1 mt -60.23 -42.31 89.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 111.56 0.207 . . . . 0.0 111.56 -179.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 31.7 tp -61.64 -47.21 86.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.784 0.325 . . . . 0.0 110.729 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -70.98 -36.54 72.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.167 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 7.4 mm -66.88 -43.67 89.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.8 tp -65.18 -34.72 79.06 Favored 'General case' 0 N--CA 1.436 -1.165 0 N-CA-C 105.093 -2.188 . . . . 0.0 105.093 176.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.54 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -58.93 -51.82 56.96 Favored Glycine 0 CA--C 1.529 0.924 0 CA-C-N 112.608 -2.087 . . . . 0.0 112.06 -179.561 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 72.3 mt -68.19 -45.21 83.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 C-N-CA 121.046 -0.262 . . . . 0.0 110.914 -179.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 33' ' ' LEU . 92.3 mt -58.42 -46.43 86.5 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.379 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 29.5 mt -60.41 -42.79 92.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.405 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 31' ' ' GLY . 42.3 t -57.14 -52.62 53.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.493 -178.69 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.4 mp -66.59 -33.81 76.49 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.164 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.493 ' O ' ' SG ' ' A' ' 40' ' ' CYS . 44.4 m -60.63 -35.71 76.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.133 -179.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.9 mmt85 -57.54 -33.82 68.51 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.754 -179.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -65.61 -30.49 71.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.677 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.574 ' SG ' ' N ' ' A' ' 41' ' ' ARG . 1.3 p -57.9 -40.92 81.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 -179.659 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.574 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 10.6 ttm-85 -62.1 -43.87 97.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.802 0.334 . . . . 0.0 110.795 -179.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.2 m -78.28 -32.58 49.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 -179.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.446 ' HZ3' ' CD ' ' A' ' 52' ' ' GLU . 24.0 mmtt -77.34 -30.21 53.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.379 -179.68 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.479 ' CZ ' ' OG1' ' A' ' 59' ' ' THR . 16.1 t80 -66.03 -47.54 74.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.537 -179.279 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.41 ' HB3' HE21 ' A' ' 48' ' ' GLN . 45.1 t-20 -84.12 107.0 16.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.852 0.358 . . . . 0.0 110.592 -179.562 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 50' ' ' THR . 4.8 pt20 -73.38 -24.87 60.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.376 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -56.21 -37.08 69.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.811 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.41 HE21 ' HB3' ' A' ' 45' ' ' ASN . 36.9 mt-30 -64.45 -45.63 86.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.906 -179.553 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.411 ' O ' ' O ' ' A' ' 50' ' ' THR . 19.6 ptt85 -172.06 63.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.69 -0.404 . . . . 0.0 111.136 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 46' ' ' GLN . 0.2 OUTLIER 56.96 156.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.902 179.576 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -131.11 137.83 9.74 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.64 -0.984 . . . . 0.0 110.64 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.446 ' CD ' ' HZ3' ' A' ' 43' ' ' LYS . 0.5 OUTLIER -110.63 157.66 37.75 Favored Pre-proline 0 CA--C 1.534 0.354 0 N-CA-C 110.564 -0.161 . . . . 0.0 110.564 -179.707 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.431 ' O ' ' O ' ' A' ' 52' ' ' GLU . 37.0 Cg_exo -44.35 175.7 0.01 OUTLIER 'Trans proline' 0 N--CA 1.491 1.358 0 C-N-CA 122.263 1.976 . . . . 0.0 112.223 179.561 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 66.18 84.38 0.16 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.783 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -146.88 77.61 1.47 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.19 0.519 . . . . 0.0 110.27 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -68.2 -46.78 69.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.885 -179.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -115.51 159.41 21.24 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.715 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.444 ' C ' ' H ' ' A' ' 60' ' ' PHE . . . -163.88 -112.0 0.26 Allowed Glycine 0 CA--C 1.522 0.498 0 N-CA-C 110.624 -0.99 . . . . 0.0 110.624 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.479 ' OG1' ' CZ ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -69.73 6.82 1.03 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.847 0.356 . . . . 0.0 110.295 179.716 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.444 ' H ' ' C ' ' A' ' 58' ' ' GLY . 25.7 m-85 -69.51 -44.44 71.05 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 179.032 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -59.5 -32.77 70.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.721 -1.127 . . . . 0.0 109.336 179.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.8 m -64.58 -33.35 75.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.642 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 65.2 p -63.9 -32.88 74.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.016 0.436 . . . . 0.0 109.91 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.5 mm -63.5 -32.72 57.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 179.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 48.5 ttt-85 -58.22 -31.28 67.22 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.73 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.406 ' O ' ' N ' ' A' ' 70' ' ' ARG . 5.1 tpt180 -55.75 -34.3 65.07 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.8 tp -55.23 -23.35 22.03 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.268 -179.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.1 t -72.14 -48.46 43.44 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -179.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 54.4 p -102.92 -20.52 14.22 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.516 0.198 . . . . 0.0 111.443 -179.057 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.406 ' N ' ' O ' ' A' ' 66' ' ' ARG . 29.9 ttt180 -34.29 -60.85 0.4 Allowed 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.091 -179.484 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 43.3 ptt85 -139.73 168.22 20.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.02 0.438 . . . . 0.0 111.308 -179.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 32.6 ptt180 . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.49 179.621 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -49.78 -50.87 64.91 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.556 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -80.48 -14.13 11.81 Favored 'Trans proline' 0 C--N 1.313 -1.289 0 C-N-CA 122.038 1.825 . . . . 0.0 112.358 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -75.11 -12.02 60.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.476 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -103.35 151.89 22.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.583 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 75.0 m80 -127.56 145.51 50.83 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.568 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -104.86 158.7 31.45 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.345 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.4 ' CB ' HE22 ' A' ' 14' ' ' GLN . 45.7 Cg_endo -70.92 -31.04 16.01 Favored 'Trans proline' 0 N--CA 1.493 1.448 0 C-N-CA 122.318 2.012 . . . . 0.0 112.181 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -56.49 -32.43 65.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.735 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 41.6 m -57.14 -35.87 70.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.753 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -115.7 136.01 53.48 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.444 ' C ' ' H ' ' A' ' 14' ' ' GLN . 85.0 m-20 -92.22 -1.33 57.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.196 179.637 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -77.89 30.39 0.17 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.267 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.444 ' H ' ' C ' ' A' ' 12' ' ' ASP . 92.0 mm-40 -54.05 -46.35 71.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.551 -179.149 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.3 m -84.43 -35.89 22.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.412 -179.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.9 tp -76.66 -15.77 59.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.521 -179.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -60.99 -46.03 92.4 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.292 -179.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.458 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.4 OUTLIER -105.28 7.89 9.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.101 -179.586 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.47 -64.15 3.08 Favored Glycine 0 CA--C 1.527 0.8 0 C-N-CA 120.73 -0.748 . . . . 0.0 111.286 -179.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.91 -35.44 86.91 Favored Glycine 0 CA--C 1.53 0.974 0 C-N-CA 121.231 -0.509 . . . . 0.0 112.478 -178.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.425 HD12 ' N ' ' A' ' 21' ' ' LEU . 10.3 mp -64.99 -47.68 76.67 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 -178.456 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 18' ' ' ILE . 94.7 t -66.5 -44.56 90.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -178.271 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.0 pt -69.65 -46.59 74.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 C-N-CA 120.463 -0.495 . . . . 0.0 112.131 -178.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.87 -41.63 82.85 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.084 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.67 -41.99 99.68 Favored Glycine 0 CA--C 1.526 0.781 0 N-CA-C 111.395 -0.682 . . . . 0.0 111.395 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.3 tt -62.33 -36.33 74.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.563 -178.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 34.7 tp -64.94 -47.26 78.3 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.434 -0.507 . . . . 0.0 110.176 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -67.96 -36.41 80.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.337 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.6 tt -66.15 -40.72 87.82 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.416 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.1 mt -64.84 -33.97 77.25 Favored 'General case' 0 N--CA 1.431 -1.376 0 N-CA-C 104.382 -2.451 . . . . 0.0 104.382 174.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.472 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -57.76 -50.42 65.74 Favored Glycine 0 CA--C 1.528 0.844 0 CA-C-N 113.565 -1.652 . . . . 0.0 111.652 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 74.1 mt -70.48 -44.42 77.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.643 0.259 . . . . 0.0 111.423 -179.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.49 -46.23 87.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.899 0.38 . . . . 0.0 110.404 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 54.8 mt -60.57 -43.75 95.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.482 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 31' ' ' GLY . 31.1 t -56.95 -51.06 73.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.896 -179.28 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.0 mt -66.5 -32.82 74.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.924 0.392 . . . . 0.0 110.605 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 50.3 m -62.47 -35.15 78.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.21 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.06 -35.75 69.71 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.481 -179.438 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.2 mtm180 -65.17 -28.38 69.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.672 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.58 ' SG ' ' N ' ' A' ' 41' ' ' ARG . 0.5 OUTLIER -61.64 -40.85 96.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.263 -179.5 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.58 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 75.1 ttt180 -63.51 -48.6 76.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.77 0.319 . . . . 0.0 111.022 -179.698 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.3 m -72.28 -34.38 68.14 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.936 -179.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -78.29 -26.71 47.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.623 -179.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.526 ' CE2' ' OG1' ' A' ' 59' ' ' THR . 2.7 t80 -68.12 -27.25 66.29 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.963 -0.295 . . . . 0.0 111.418 -178.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -94.0 113.22 25.16 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.593 -179.556 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -58.24 -37.13 74.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.187 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -62.64 -39.64 94.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.532 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.69 -46.29 63.43 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.639 179.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 80.1 ttt-85 -155.71 152.1 28.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.551 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.8 m -82.81 137.18 34.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.521 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.21 -148.62 6.0 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -106.13 102.29 39.05 Favored Pre-proline 0 CA--C 1.542 0.635 0 CA-C-O 119.359 -0.353 . . . . 0.0 110.41 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -54.54 -11.68 3.46 Favored 'Trans proline' 0 N--CA 1.497 1.73 0 C-N-CA 121.593 1.529 . . . . 0.0 112.128 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -48.78 -32.21 8.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.502 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -71.31 100.81 2.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.625 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -66.92 -27.42 67.47 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.242 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -58.01 148.37 26.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.448 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.479 ' C ' ' H ' ' A' ' 60' ' ' PHE . . . 135.89 -88.62 0.23 Allowed Glycine 0 CA--C 1.521 0.465 0 N-CA-C 110.195 -1.162 . . . . 0.0 110.195 -179.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.526 ' OG1' ' CE2' ' A' ' 44' ' ' PHE . 99.0 m -56.71 -7.52 0.45 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 179.07 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.479 ' H ' ' C ' ' A' ' 58' ' ' GLY . 86.2 t80 -66.7 -42.9 85.66 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.687 179.601 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 5.1 ttt85 -59.26 -33.32 70.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.752 179.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.1 p -61.88 -33.89 75.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.621 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.4 m -65.52 -31.07 71.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.023 0.44 . . . . 0.0 110.125 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.5 mm -72.15 -33.01 45.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.073 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -57.85 -30.5 65.84 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.834 -179.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.543 ' O ' ' N ' ' A' ' 70' ' ' ARG . 1.1 mpt_? -55.13 -33.15 62.63 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 178.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.25 -22.8 12.65 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.625 -179.445 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.6 t -66.13 -48.84 69.5 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 120.645 -0.422 . . . . 0.0 111.43 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.1 p -106.57 -39.38 5.87 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.728 0.299 . . . . 0.0 110.612 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.543 ' N ' ' O ' ' A' ' 66' ' ' ARG . 16.7 ptt180 30.9 48.32 0.06 Allowed 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.226 179.585 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 42.3 mtm180 -144.29 -70.82 0.29 Allowed 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.836 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 56.4 ttt180 . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 118.087 -0.959 . . . . 0.0 110.595 -179.815 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.87 162.31 72.66 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.417 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -69.19 -25.74 30.94 Favored 'Trans proline' 0 C--N 1.31 -1.46 0 C-N-CA 122.545 2.163 . . . . 0.0 112.1 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 41.3 mttp -75.19 -7.11 52.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.704 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -81.1 147.41 30.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.532 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -103.68 156.5 17.75 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.623 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.511 ' N ' ' OD1' ' A' ' 7' ' ' ASP . 0.0 OUTLIER -59.91 -50.68 85.34 Favored Pre-proline 0 CA--C 1.535 0.376 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.913 -179.871 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -76.06 -11.32 19.61 Favored 'Trans proline' 0 N--CA 1.491 1.369 0 C-N-CA 121.799 1.666 . . . . 0.0 112.934 -179.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -55.82 -31.18 62.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.888 0.375 . . . . 0.0 110.475 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 42.7 m -50.16 -34.62 23.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.87 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -111.98 134.17 53.71 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.4 ' C ' ' H ' ' A' ' 14' ' ' GLN . 53.3 t0 -135.1 1.43 2.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.197 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.419 ' O ' ' N ' ' A' ' 17' ' ' GLN . 22.9 m-85 -80.88 28.74 0.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.248 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.4 ' H ' ' C ' ' A' ' 12' ' ' ASP . 89.1 mm-40 -51.48 -50.75 59.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.418 -179.149 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 82.5 p -83.28 -32.23 26.49 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.996 -0.282 . . . . 0.0 111.325 -179.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.0 tp -80.74 -6.83 59.0 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.184 -179.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 13' ' ' TYR . 6.4 mm-40 -68.95 -50.52 48.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.52 -179.491 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.644 HG22 HG23 ' A' ' 22' ' ' VAL . 2.3 mt -96.83 -5.52 9.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.587 -0.278 . . . . 0.0 111.597 -178.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.7 -81.68 0.06 OUTLIER Glycine 0 CA--C 1.528 0.894 0 N-CA-C 111.747 -0.541 . . . . 0.0 111.747 -179.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.473 ' HA2' HD11 ' A' ' 23' ' ' ILE . . . -44.38 -32.35 2.67 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 112.191 -0.364 . . . . 0.0 112.191 -178.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 21.4 mt -69.26 -46.32 67.57 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -178.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.644 HG23 HG22 ' A' ' 18' ' ' ILE . 54.7 t -68.34 -49.23 68.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -178.413 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.473 HD11 ' HA2' ' A' ' 20' ' ' GLY . 6.2 pt -63.99 -41.34 92.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 C-N-CA 120.803 -0.359 . . . . 0.0 111.424 -179.006 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.46 -43.82 96.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.865 0.364 . . . . 0.0 110.713 -179.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.68 -37.48 94.31 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 82.9 mt -62.01 -43.09 97.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 121.036 -0.266 . . . . 0.0 111.28 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 tt -61.19 -47.22 87.13 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.006 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -70.36 -38.85 74.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.03 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 18.6 mt -59.69 -45.43 94.42 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.493 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.2 mt -64.08 -33.22 75.26 Favored 'General case' 0 N--CA 1.431 -1.389 0 N-CA-C 104.377 -2.453 . . . . 0.0 104.377 175.277 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.763 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -55.91 -52.31 49.66 Favored Glycine 0 CA--C 1.534 1.261 0 CA-C-N 113.841 -1.527 . . . . 0.0 111.8 -179.555 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 12.6 mm -70.49 -44.97 76.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 117.265 0.532 . . . . 0.0 111.54 -179.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 97.0 mt -60.14 -47.08 87.41 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.924 0.393 . . . . 0.0 110.118 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 58.0 mt -60.54 -46.43 95.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.591 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 31' ' ' GLY . 96.5 t -56.8 -52.07 59.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 120.697 -0.401 . . . . 0.0 111.004 -179.228 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.9 mp -65.4 -33.36 75.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.808 0.337 . . . . 0.0 110.471 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 68.8 m -61.6 -36.06 79.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.333 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.436 ' NH1' ' NH2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -57.92 -34.24 69.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.956 -179.468 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 75.5 mtp85 -63.35 -29.92 71.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.782 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 60.5 m -59.18 -45.26 91.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.212 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.436 ' NH2' ' NH1' ' A' ' 38' ' ' ARG . 40.5 ttp180 -58.17 -42.64 86.46 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.878 0.371 . . . . 0.0 110.834 -179.7 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.6 m -75.87 -34.67 60.03 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.685 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -77.94 -28.81 49.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.598 -179.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.413 ' CD1' ' C ' ' A' ' 44' ' ' PHE . 24.8 t80 -65.77 -47.46 75.12 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.619 -178.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.504 ' ND2' ' OE1' ' A' ' 47' ' ' GLN . 5.4 p30 -99.02 162.67 12.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.808 0.337 . . . . 0.0 110.808 -179.63 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.485 ' C ' ' H ' ' A' ' 48' ' ' GLN . 98.0 mt-30 -56.73 -17.22 8.23 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.137 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.52 HE21 ' CG ' ' A' ' 54' ' ' ASP . 97.6 mt-30 -53.56 -7.3 0.1 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.579 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.485 ' H ' ' C ' ' A' ' 46' ' ' GLN . 8.3 pt20 -55.42 -31.46 61.89 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.97 0.414 . . . . 0.0 109.958 179.645 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 60.0 ttm-85 -131.99 144.72 50.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.063 179.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 81.6 p -69.87 143.38 52.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.452 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -178.17 -129.41 1.27 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.21 157.89 80.32 Favored Pre-proline 0 C--N 1.329 -0.326 0 C-N-CA 121.222 -0.191 . . . . 0.0 110.699 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -39.09 161.24 0.02 OUTLIER 'Trans proline' 0 C--N 1.314 -1.281 0 C-N-CA 122.47 2.113 . . . . 0.0 112.139 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.52 ' CG ' HE21 ' A' ' 47' ' ' GLN . 76.8 m-20 -70.07 137.56 51.31 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.65 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -102.78 -74.17 0.64 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.89 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -67.67 -76.43 0.09 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.976 -179.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 54.45 97.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.455 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 151.84 76.49 0.02 OUTLIER Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 -179.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.536 ' HG1' ' NE ' ' A' ' 61' ' ' ARG . 0.1 OUTLIER -87.59 -166.54 1.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.407 -0.22 . . . . 0.0 110.407 -179.629 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.524 ' N ' ' OG1' ' A' ' 59' ' ' THR . 18.5 m-85 -70.09 -44.58 68.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.998 0.428 . . . . 0.0 110.785 -179.456 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.81 ' HE ' ' H ' ' A' ' 61' ' ' ARG . 0.2 OUTLIER -60.6 -32.04 71.17 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.772 179.489 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.8 t -60.86 -32.29 71.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.619 -179.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 84.5 p -63.15 -31.54 72.71 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.99 -178.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.412 HG23 ' H ' ' A' ' 64' ' ' ILE . 0.9 OUTLIER -63.46 -31.08 51.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.777 0.322 . . . . 0.0 110.27 179.115 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -56.88 -31.06 64.47 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.526 ' O ' ' N ' ' A' ' 70' ' ' ARG . 5.2 mtt180 -58.03 -34.49 70.11 Favored 'General case' 0 C--O 1.222 -0.391 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 178.385 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.8 tp -56.12 -23.75 36.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.249 -179.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 25.4 m -65.49 -48.57 72.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.489 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 68.1 p -105.02 -35.44 7.65 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.046 0.45 . . . . 0.0 110.463 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.526 ' N ' ' O ' ' A' ' 66' ' ' ARG . 18.0 mtp180 69.3 -79.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.322 -0.854 . . . . 0.0 112.22 179.157 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -129.18 154.78 46.42 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.179 0.514 . . . . 0.0 111.37 -178.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 118.07 -0.967 . . . . 0.0 110.587 -179.996 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 t -133.14 58.5 35.33 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.591 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -71.2 -10.67 27.69 Favored 'Trans proline' 0 C--N 1.306 -1.694 0 C-N-CA 122.697 2.264 . . . . 0.0 112.078 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 18.5 mmtp -74.96 -4.86 40.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.614 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -96.28 154.7 17.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.666 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 31.2 t60 -104.75 135.75 45.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.418 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.6 161.3 26.32 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.435 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.411 ' O ' ' O ' ' A' ' 11' ' ' TYR . 44.6 Cg_endo -70.4 -37.71 7.3 Favored 'Trans proline' 0 C--N 1.311 -1.427 0 C-N-CA 122.456 2.104 . . . . 0.0 112.124 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -53.1 -41.55 65.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.746 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 27.9 m -65.66 -39.96 91.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.82 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.606 ' CD2' ' NE2' ' A' ' 14' ' ' GLN . 39.5 t80 -138.61 131.47 29.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.746 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.661 ' N ' HE21 ' A' ' 14' ' ' GLN . 0.0 OUTLIER 158.24 -32.08 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.356 179.698 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -78.15 30.89 0.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.432 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.661 HE21 ' N ' ' A' ' 12' ' ' ASP . 46.0 mm-40 -51.93 -51.47 56.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.508 -179.208 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 83.6 p -83.14 -32.88 26.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.78 0.324 . . . . 0.0 111.533 -179.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.8 tp -79.77 -7.9 58.93 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.46 -178.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -68.58 -52.87 26.98 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.921 -0.312 . . . . 0.0 111.057 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.453 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -94.12 -2.0 10.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.058 -179.427 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -53.58 -99.59 0.01 OUTLIER Glycine 0 CA--C 1.529 0.91 0 N-CA-C 111.823 -0.511 . . . . 0.0 111.823 -179.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -38.84 -35.08 0.32 Allowed Glycine 0 CA--C 1.527 0.827 0 N-CA-C 112.199 -0.361 . . . . 0.0 112.199 -179.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.0 mp -57.61 -51.23 70.34 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.629 -0.429 . . . . 0.0 110.922 -179.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 18' ' ' ILE . 73.2 t -67.42 -49.39 71.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.3 -179.454 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.3 mm -56.8 -46.27 83.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.883 -179.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.8 -38.07 74.87 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.537 -0.465 . . . . 0.0 109.768 179.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.0 -42.24 96.81 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.486 -0.645 . . . . 0.0 111.486 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.6 mm -64.52 -44.6 96.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 C-N-CA 120.546 -0.462 . . . . 0.0 111.49 -179.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 24.8 tp -57.11 -47.19 81.69 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.565 -0.454 . . . . 0.0 111.387 -178.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -71.63 -36.76 70.86 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.35 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 34.9 mt -65.25 -45.83 92.49 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.326 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.8 tp -64.68 -34.39 78.18 Favored 'General case' 0 N--CA 1.437 -1.094 0 N-CA-C 104.746 -2.316 . . . . 0.0 104.746 176.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.664 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -56.92 -49.96 67.47 Favored Glycine 0 CA--C 1.532 1.096 0 CA-C-N 113.363 -1.744 . . . . 0.0 111.203 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 75.8 mt -70.35 -44.95 77.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.638 0.256 . . . . 0.0 111.391 -179.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.33 -46.35 90.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.076 0.465 . . . . 0.0 109.877 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.4 mt -59.97 -46.11 94.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.414 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 31' ' ' GLY . 56.0 t -56.81 -52.26 57.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.851 -179.109 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 79.4 mt -66.25 -33.88 76.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.531 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.498 ' O ' ' SG ' ' A' ' 40' ' ' CYS . 59.7 m -61.91 -35.28 77.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.278 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.7 mmt180 -56.86 -31.84 65.21 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.618 -179.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.733 HH12 ' HZ2' ' A' ' 43' ' ' LYS . 19.6 mtp-105 -67.13 -31.73 72.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.642 179.763 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.516 ' SG ' ' N ' ' A' ' 41' ' ' ARG . 1.7 p -57.93 -38.17 75.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.488 -179.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.516 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 37.1 ttp180 -63.45 -43.92 96.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.624 0.25 . . . . 0.0 111.306 -179.586 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 21.7 m -75.12 -38.97 60.93 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.284 -179.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.733 ' HZ2' HH12 ' A' ' 39' ' ' ARG . 39.7 mtmt -72.85 -23.13 60.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.808 -179.2 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.478 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 49.5 t80 -67.53 -48.72 66.2 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.351 -0.54 . . . . 0.0 112.187 -178.406 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.478 ' CB ' ' O ' ' A' ' 44' ' ' PHE . 0.8 OUTLIER 155.62 -5.58 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.795 0 O-C-N 123.724 0.64 . . . . 0.0 110.054 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -56.74 -31.63 64.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.103 -179.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -60.22 -22.53 63.12 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.505 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -58.05 -45.14 87.53 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.77 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -150.31 -95.21 0.07 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.643 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.0 t -169.05 -9.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.684 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 105.1 116.39 4.21 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.433 ' O ' ' O ' ' A' ' 53' ' ' PRO . 6.1 pt-20 -78.45 152.03 78.11 Favored Pre-proline 0 CA--C 1.536 0.439 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' A' ' 55' ' ' GLU . 31.4 Cg_exo -47.27 -176.59 0.0 OUTLIER 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 121.979 1.786 . . . . 0.0 112.622 179.329 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 58.6 -81.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.986 179.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.515 ' O ' ' N ' ' A' ' 57' ' ' GLU . 78.5 mm-40 -55.61 -59.94 4.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.823 0.344 . . . . 0.0 110.601 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 42.12 19.2 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.093 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.515 ' N ' ' O ' ' A' ' 55' ' ' GLU . 5.6 mm-40 -84.09 100.12 10.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.448 179.722 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -96.15 -84.36 1.69 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -130.1 179.39 5.91 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.741 0.305 . . . . 0.0 110.452 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -69.53 -44.35 71.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.314 0.578 . . . . 0.0 109.686 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -64.13 -32.14 73.6 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.838 178.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 18.2 m -60.39 -32.62 71.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.564 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 55.7 p -63.63 -25.94 68.45 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.206 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.44 HG13 HD12 ' A' ' 67' ' ' LEU . 1.2 tp -65.34 -33.37 63.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.028 179.416 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 90.3 mtm-85 -59.52 -31.19 69.16 Favored 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.517 ' O ' ' N ' ' A' ' 70' ' ' ARG . 2.6 mmp_? -55.88 -36.71 67.91 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 179.683 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.44 HD12 HG13 ' A' ' 64' ' ' ILE . 50.0 mt -57.34 -26.92 61.72 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.716 -0.393 . . . . 0.0 110.736 179.66 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.6 t -64.11 -48.2 77.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.421 -179.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.5 p -102.51 -39.17 7.23 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.881 0.372 . . . . 0.0 110.838 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.517 ' N ' ' O ' ' A' ' 66' ' ' ARG . 14.7 ttp180 -62.9 -68.31 0.35 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.845 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.413 ' O ' ' O ' ' A' ' 67' ' ' LEU . 0.8 OUTLIER -148.67 125.75 11.38 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.918 -179.61 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 . . . . . 0 C--O 1.221 -0.413 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.662 179.874 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 . . . . . 0 N--CA 1.489 1.481 0 N-CA-C 109.408 -0.589 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.53 162.52 54.37 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.576 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -71.02 -20.67 28.62 Favored 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 122.656 2.237 . . . . 0.0 112.307 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 38.3 mmtm -74.79 -19.69 60.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.686 -179.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -62.37 -25.32 67.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.602 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 3.6 m80 -78.78 150.66 32.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.618 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.431 ' N ' ' CD ' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -86.66 -49.52 0.48 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.69 -179.849 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.431 ' CD ' ' N ' ' A' ' 7' ' ' ASP . 43.0 Cg_endo -78.65 -19.36 11.4 Favored 'Trans proline' 0 C--N 1.314 -1.259 0 C-N-CA 122.076 1.851 . . . . 0.0 112.66 -179.24 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -57.97 -36.38 72.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.892 0.377 . . . . 0.0 110.432 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 85.5 m -58.02 -34.99 70.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.716 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -106.72 134.44 49.86 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.619 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.487 ' C ' ' H ' ' A' ' 14' ' ' GLN . 83.9 m-20 -80.17 -17.35 52.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.503 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.457 ' O ' ' N ' ' A' ' 17' ' ' GLN . 53.0 m-85 -73.37 34.31 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.506 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.487 ' H ' ' C ' ' A' ' 12' ' ' ASP . 57.1 mt-30 -51.43 -52.36 46.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.771 -179.484 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 93.3 p -83.13 -32.19 26.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.795 0.331 . . . . 0.0 110.973 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 tp -79.69 -3.06 45.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.002 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 13' ' ' TYR . 18.2 tt0 -76.89 -42.51 39.51 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.439 -179.338 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.424 ' O ' ' O ' ' A' ' 19' ' ' GLY . 0.3 OUTLIER -102.99 -16.65 7.41 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 CA-C-O 120.772 0.32 . . . . 0.0 111.146 -178.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.52 ' O ' ' N ' ' A' ' 21' ' ' LEU . . . -42.29 -98.03 0.01 OUTLIER Glycine 0 CA--C 1.527 0.788 0 C-N-CA 121.257 -0.497 . . . . 0.0 111.922 -179.114 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -35.58 -26.92 0.01 OUTLIER Glycine 0 CA--C 1.525 0.706 0 N-CA-C 112.226 -0.35 . . . . 0.0 112.226 -179.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.52 ' N ' ' O ' ' A' ' 19' ' ' GLY . 2.9 mp -68.6 -51.46 42.17 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.105 -179.688 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.414 HG23 HD12 ' A' ' 18' ' ' ILE . 14.4 t -68.4 -49.76 63.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.196 -179.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 36.7 mm -55.45 -45.05 78.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-O 120.913 0.387 . . . . 0.0 110.367 -179.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.67 -37.68 76.55 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.885 179.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.94 -37.92 95.33 Favored Glycine 0 CA--C 1.528 0.874 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.046 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 12.6 mm -66.87 -44.65 88.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 C-N-CA 120.317 -0.553 . . . . 0.0 111.519 -179.089 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 34.2 tp -60.69 -47.87 84.35 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 120.82 0.343 . . . . 0.0 111.37 -178.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -69.55 -38.06 77.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.79 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.9 mt -60.73 -43.69 95.68 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.704 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 mp -63.85 -33.44 75.69 Favored 'General case' 0 N--CA 1.432 -1.372 0 N-CA-C 104.914 -2.254 . . . . 0.0 104.914 175.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.555 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -56.19 -50.64 60.84 Favored Glycine 0 CA--C 1.531 1.053 0 CA-C-N 114.223 -1.353 . . . . 0.0 111.559 -179.535 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.8 mm -70.12 -44.48 78.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.951 0.375 . . . . 0.0 111.576 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.4 mt -63.65 -47.92 79.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.057 0.456 . . . . 0.0 110.736 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 72.6 mt -60.37 -44.82 96.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.615 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 31' ' ' GLY . 40.5 t -56.44 -52.2 55.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.546 -179.217 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 83.0 mt -66.27 -31.85 72.91 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.346 179.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.1 t -61.46 -37.04 82.15 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.144 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.9 mtt85 -57.76 -40.1 78.97 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.644 -179.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 71.7 mtt85 -57.53 -28.35 63.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.6 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 30.8 m -61.03 -49.27 78.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.048 -179.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.8 mtm180 -54.8 -38.84 67.8 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.808 -179.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.3 m -77.03 -38.02 53.7 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.706 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -76.09 -27.68 57.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.455 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -65.25 -48.44 73.24 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.779 -0.368 . . . . 0.0 111.652 -178.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -89.33 108.82 19.84 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.685 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.425 ' O ' ' O ' ' A' ' 49' ' ' ARG . 12.0 mt-30 -63.79 -31.89 73.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.715 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 59.8 mm-40 -55.43 -37.89 68.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.722 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -66.57 -41.32 88.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.734 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.425 ' O ' ' O ' ' A' ' 46' ' ' GLN . 4.5 mtt-85 -141.78 -121.07 0.1 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.78 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 84.8 m -144.69 133.56 22.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.456 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -167.48 -177.24 38.85 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -84.63 157.23 61.35 Favored Pre-proline 0 CA--C 1.531 0.249 0 N-CA-C 110.14 -0.318 . . . . 0.0 110.14 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -39.29 159.39 0.03 OUTLIER 'Trans proline' 0 C--N 1.314 -1.261 0 C-N-CA 122.375 2.05 . . . . 0.0 112.221 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -84.44 132.7 34.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.595 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -121.66 -59.1 1.71 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.569 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -69.29 -81.77 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.704 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.432 ' CG ' ' N ' ' A' ' 58' ' ' GLY . 2.2 tt0 -168.16 -103.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.543 -0.463 . . . . 0.0 111.399 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.432 ' N ' ' CG ' ' A' ' 57' ' ' GLU . . . 119.22 -49.51 0.87 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 109.931 -1.268 . . . . 0.0 109.931 -179.124 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.7 m -79.67 15.76 1.27 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.221 0.534 . . . . 0.0 109.566 179.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -69.26 -44.39 71.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.709 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 26.2 ttt180 -62.27 -33.06 73.91 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.639 179.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.17 -33.32 73.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.898 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 82.6 p -63.72 -31.74 73.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.11 0.481 . . . . 0.0 109.819 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.1 tt -62.91 -32.97 57.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.467 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.1 mmt85 -57.5 -29.71 64.53 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 179.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.541 ' O ' ' N ' ' A' ' 70' ' ' ARG . 39.1 ttm180 -54.95 -34.92 63.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.512 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.0 mt -62.26 -22.59 66.11 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.891 -0.324 . . . . 0.0 111.178 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.2 t -64.38 -49.24 72.38 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.653 -0.419 . . . . 0.0 111.186 -178.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 18.8 p -107.3 -39.48 5.67 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.147 0.499 . . . . 0.0 109.999 179.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.541 ' N ' ' O ' ' A' ' 66' ' ' ARG . 18.9 ptt85 31.92 92.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 114.763 -1.108 . . . . 0.0 111.929 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -155.67 155.53 33.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.572 179.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.423 HH11 ' CG ' ' A' ' 72' ' ' ARG . 7.7 mtt-85 . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.398 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 t -133.3 58.7 36.15 Favored Pre-proline 0 C--N 1.331 -0.209 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.603 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -71.51 -11.89 28.76 Favored 'Trans proline' 0 C--N 1.307 -1.626 0 C-N-CA 122.642 2.228 . . . . 0.0 112.179 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 23.3 mmtp -74.9 -8.62 57.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.534 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -68.97 146.5 52.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.464 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -83.25 -13.54 55.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.665 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.05 161.36 76.02 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.5 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -70.03 141.2 43.53 Favored 'Trans proline' 0 C--N 1.31 -1.473 0 C-N-CA 122.5 2.134 . . . . 0.0 112.063 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -102.13 132.49 47.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.477 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 39.2 p -106.44 150.56 25.94 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.535 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -113.5 138.85 49.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.518 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 53.8 p30 -80.41 -7.94 59.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.984 0.421 . . . . 0.0 110.304 179.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -86.0 31.12 0.64 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.77 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -51.08 -46.48 61.77 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.769 -178.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 74.5 p -83.91 -32.39 25.16 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -178.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.1 tp -79.17 -12.0 59.98 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -178.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -64.25 -52.46 58.58 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.543 -0.463 . . . . 0.0 111.143 -179.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.73 HG22 HG23 ' A' ' 22' ' ' VAL . 10.7 mm -93.24 -11.8 9.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.969 0.414 . . . . 0.0 110.948 -179.51 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -43.48 -96.91 0.01 OUTLIER Glycine 0 CA--C 1.531 1.056 0 C-N-CA 121.398 -0.43 . . . . 0.0 112.254 -179.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -39.69 -37.14 0.84 Allowed Glycine 0 CA--C 1.528 0.896 0 N-CA-C 112.632 -0.187 . . . . 0.0 112.632 -178.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.1 mp -54.74 -50.71 67.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 117.117 0.458 . . . . 0.0 111.012 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.73 HG23 HG22 ' A' ' 18' ' ' ILE . 58.9 t -67.5 -49.07 74.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.421 -179.455 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.3 mm -56.86 -46.26 83.53 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.167 0 CA-C-O 120.889 0.376 . . . . 0.0 110.778 -179.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.36 -34.99 76.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.982 0.42 . . . . 0.0 110.293 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.75 -41.45 97.61 Favored Glycine 0 CA--C 1.526 0.735 0 CA-C-N 115.793 -0.639 . . . . 0.0 112.296 -179.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.519 HG23 ' O ' ' A' ' 22' ' ' VAL . 0.2 OUTLIER -69.37 -38.93 78.22 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 CA-C-N 117.543 0.671 . . . . 0.0 112.125 -178.489 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.2 tt -64.46 -47.7 78.03 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.036 0.446 . . . . 0.0 111.332 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.511 ' CE2' HD11 ' A' ' 32' ' ' ILE . 88.3 t80 -71.48 -37.27 71.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.109 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 12.1 mt -61.3 -47.17 94.71 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.794 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 178.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.4 mt -59.76 -33.44 71.67 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 105.09 -2.189 . . . . 0.0 105.09 175.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.571 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -56.34 -48.86 72.31 Favored Glycine 0 CA--C 1.53 1.017 0 CA-C-N 114.285 -1.325 . . . . 0.0 111.219 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.511 HD11 ' CE2' ' A' ' 28' ' ' PHE . 87.5 mt -70.39 -45.03 76.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -179.482 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.0 mt -63.73 -44.84 92.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.172 0.511 . . . . 0.0 110.286 -179.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 48.9 mt -60.29 -46.23 95.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.476 -179.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 31' ' ' GLY . 52.9 t -56.69 -52.0 59.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.796 -179.086 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 78.1 mt -66.23 -33.0 74.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.599 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 52.3 m -64.28 -35.82 82.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.163 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -57.34 -33.0 67.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.641 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 23.4 ttt180 -64.96 -29.38 70.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.674 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 48.5 m -59.08 -48.36 81.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.529 -179.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 49.6 ttm-85 -55.23 -43.06 74.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.033 -179.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -78.97 -31.87 45.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.092 -179.358 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.6 mmtm -78.58 -28.01 45.75 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.46 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 2.5 m-85 -65.75 -49.84 66.92 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.37 -0.532 . . . . 0.0 112.101 -178.116 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 44' ' ' PHE . 11.7 m-20 150.54 140.52 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.951 0 O-C-N 123.889 0.743 . . . . 0.0 110.165 179.636 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -80.24 -25.17 39.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.924 0.392 . . . . 0.0 110.488 179.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -64.71 -18.02 64.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.509 -179.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 92.6 mm-40 -55.72 -25.77 41.93 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.954 -0.298 . . . . 0.0 110.805 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 53.8 ttt180 -72.41 105.47 4.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.403 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 66.4 p 41.44 65.63 0.81 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.647 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -130.15 -137.18 4.14 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -80.68 157.26 72.32 Favored Pre-proline 0 C--N 1.33 -0.278 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -39.07 146.5 0.16 Allowed 'Trans proline' 0 C--N 1.314 -1.256 0 C-N-CA 122.181 1.921 . . . . 0.0 112.21 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.9 p-10 -115.23 173.01 6.72 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.707 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -95.91 -170.03 2.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.432 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -57.04 -33.69 67.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.489 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -102.16 165.44 11.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.185 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.474 ' C ' ' H ' ' A' ' 60' ' ' PHE . . . 78.44 144.45 2.5 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.407 -1.077 . . . . 0.0 110.407 -179.584 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.8 m 60.96 1.49 0.46 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.941 0.4 . . . . 0.0 110.127 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.474 ' H ' ' C ' ' A' ' 58' ' ' GLY . 83.4 t80 -69.39 -43.96 72.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.407 0.622 . . . . 0.0 109.724 179.691 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.411 ' O ' HG22 ' A' ' 64' ' ' ILE . 34.5 ttt85 -64.59 -32.05 73.53 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.964 -1.016 . . . . 0.0 109.579 178.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 18.7 p -66.1 -33.61 76.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.283 -179.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 77.5 p -64.58 -28.4 69.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.739 0.304 . . . . 0.0 110.558 -179.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.411 HG22 ' O ' ' A' ' 61' ' ' ARG . 1.3 tp -62.69 -31.67 52.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.783 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -56.91 -29.41 63.02 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.497 ' O ' ' N ' ' A' ' 70' ' ' ARG . 1.8 ptm85 -54.16 -34.85 61.43 Favored 'General case' 0 C--O 1.223 -0.325 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 179.398 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.6 tp -56.89 -26.6 59.24 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.693 179.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.6 m -71.48 -48.0 51.91 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.771 -179.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.424 HG23 ' N ' ' A' ' 70' ' ' ARG . 8.8 t -98.3 -37.49 9.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.706 0.289 . . . . 0.0 111.617 -178.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 66' ' ' ARG . 6.6 ttm180 -57.29 -55.46 34.42 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 120.701 -0.4 . . . . 0.0 111.056 -179.125 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.9 ttt85 -120.85 140.3 51.97 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.962 0.41 . . . . 0.0 110.827 -179.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 78.3 mtp180 . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.593 179.748 . . . . . . . . 0 0 . 1 stop_ save_