data_2mrw_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 2mrw _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.759 0.314 . . . . 0.0 111.806 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.466 ' O ' ' HG2' ' A' ' 20' ' ' ARG . 31.7 t-105 -80.91 -29.32 35.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.91 0.386 . . . . 0.0 110.761 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -81.81 -42.39 19.75 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.57 -179.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.2 tt -63.5 -30.9 51.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.274 -178.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.466 ' HG2' ' O ' ' A' ' 17' ' ' TRP . 5.5 ptm180 -74.44 -27.86 60.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.818 0.342 . . . . 0.0 110.858 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.02 -45.96 19.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.186 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.2 tptm -63.38 -41.5 98.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.953 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.3 mp -71.97 -19.28 61.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.111 -179.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -83.24 -40.44 19.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.96 0.409 . . . . 0.0 110.622 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -70.19 -35.19 73.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.213 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 6.8 t80 . . . . . 0 C--N 1.328 -0.343 0 CA-C-O 120.778 0.323 . . . . 0.0 110.59 179.875 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.769 0.319 . . . . 0.0 111.273 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 60.3 t-105 -64.15 -42.33 96.82 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.96 179.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -71.39 -39.55 71.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.907 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 87.5 mt -60.91 -46.99 95.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.831 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -61.47 -39.94 92.71 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.796 0.331 . . . . 0.0 111.248 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.63 -45.57 71.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.4 ttpt -65.21 -40.24 93.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.217 -179.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.7 mp -66.34 -27.88 68.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.044 0.45 . . . . 0.0 110.81 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -76.47 -46.1 28.34 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.841 179.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -67.03 -43.64 82.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.039 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 6.5 t80 . . . . . 0 C--N 1.327 -0.403 0 CA-C-O 120.907 0.384 . . . . 0.0 111.1 -179.129 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.197 0 CA-C-O 120.905 0.384 . . . . 0.0 111.503 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 67.3 t90 -64.72 -44.92 88.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.307 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -60.58 -41.84 95.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.751 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.2 mt -61.79 -48.29 89.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.382 179.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.1 mtp-105 -59.94 -46.04 90.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.119 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.46 -45.21 91.9 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.651 -179.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.485 ' O ' ' HB2' ' A' ' 26' ' ' TYR . 50.3 tttm -67.49 -39.84 85.22 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.964 -179.195 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.8 mp -65.23 -37.8 88.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.217 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.1 ttpp -66.98 -42.02 85.79 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.348 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.51 -25.34 45.58 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.736 -0.386 . . . . 0.0 111.096 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.485 ' HB2' ' O ' ' A' ' 22' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 178.685 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.199 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.2 m-90 -67.64 -32.38 73.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.896 0.379 . . . . 0.0 110.358 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.402 ' HA ' ' OE1' ' A' ' 18' ' ' GLU . 32.3 tp10 -72.12 -37.72 69.43 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.813 179.321 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 37.3 mm -65.89 -42.79 92.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.705 178.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -44.09 97.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.187 179.392 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.45 -39.43 92.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.888 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 46.9 tptt -68.28 -43.62 77.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.145 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.4 mp -64.07 -33.82 76.62 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.074 0.464 . . . . 0.0 110.45 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -78.34 -20.01 52.25 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.153 0.501 . . . . 0.0 110.082 178.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -83.53 -43.72 15.43 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.514 179.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 38.4 t80 . . . . . 0 C--N 1.324 -0.505 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -178.841 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.649 0.261 . . . . 0.0 111.278 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -73.48 -37.45 65.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.591 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -64.25 -38.09 89.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.952 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 76.0 mt -62.19 -45.97 97.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.18 179.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -60.6 -42.33 96.53 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.158 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.24 -44.01 96.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.147 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -65.72 -44.57 85.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.957 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.2 mp -65.35 -34.3 78.01 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.926 -179.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -74.36 -38.1 63.29 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.776 0.322 . . . . 0.0 110.854 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -74.37 -40.7 61.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.311 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 61.1 t80 . . . . . 0 C--N 1.326 -0.416 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.33 -179.648 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.771 0.32 . . . . 0.0 111.432 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 88.5 m95 -66.41 -48.72 69.16 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.964 0.411 . . . . 0.0 110.581 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.97 -39.95 68.95 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.999 -178.514 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.6 tt -64.87 -38.17 82.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.467 -178.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -72.26 -38.23 68.92 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.045 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.93 -40.39 83.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.978 0.418 . . . . 0.0 110.422 179.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.5 ttpt -67.56 -46.0 73.97 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.459 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.0 mp -63.46 -37.83 88.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.666 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -72.94 -20.81 60.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.758 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.94 -38.92 31.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.788 0.328 . . . . 0.0 110.594 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 . . . . . 0 C--N 1.325 -0.488 0 CA-C-O 120.868 0.366 . . . . 0.0 111.115 179.992 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.207 0 CA-C-O 120.446 0.165 . . . . 0.0 111.331 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 39.5 t-105 -68.82 -44.46 73.46 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.029 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -68.46 -33.13 73.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.924 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.3 mm -63.13 -39.98 87.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.506 178.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.3 ttt180 -62.93 -41.6 99.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.953 179.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.2 -46.17 78.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.831 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -60.66 -40.36 91.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.035 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.8 mp -65.46 -34.13 77.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.356 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.3 mmtp -79.46 -27.95 41.58 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.938 0.399 . . . . 0.0 111.425 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -80.31 -38.33 30.89 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.024 -179.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.0 t80 . . . . . 0 C--N 1.325 -0.458 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.69 -179.437 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.035 0 CA-C-O 121.123 0.487 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 21.9 m-90 -72.53 -24.43 61.14 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.451 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -74.9 -48.72 23.26 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.12 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.46 ' O ' ' HB2' ' A' ' 23' ' ' LEU . 8.0 tp -66.15 -31.47 53.8 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.984 -179.619 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -67.48 -42.68 82.55 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-O 121.034 0.445 . . . . 0.0 110.276 178.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.59 -43.08 73.51 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.56 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -64.59 -41.86 95.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.181 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.46 ' HB2' ' O ' ' A' ' 19' ' ' ILE . 1.0 OUTLIER -67.71 -32.99 74.01 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.158 -179.309 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -69.73 -37.74 76.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.869 0.366 . . . . 0.0 111.186 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -74.06 -33.75 63.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.22 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 33.7 t80 . . . . . 0 C--N 1.323 -0.548 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.73 179.964 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 120.853 0.358 . . . . 0.0 111.371 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 7.7 t90 -82.32 -34.16 28.68 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.035 0.445 . . . . 0.0 109.98 179.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -69.64 -44.9 69.66 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.734 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.1 tp -65.08 -34.26 69.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.024 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.43 ' HG3' ' N ' ' A' ' 21' ' ' ALA . 0.5 OUTLIER -71.21 -32.0 68.28 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 121.053 -0.259 . . . . 0.0 110.511 179.894 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.43 ' N ' ' HG3' ' A' ' 20' ' ' ARG . . . -70.95 -42.0 70.37 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.096 0.474 . . . . 0.0 110.276 179.559 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 50.3 tttp -69.16 -30.47 68.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.233 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.0 mp -82.71 -19.2 38.48 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.867 179.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.2 ttmt -84.14 -29.92 26.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.759 0.314 . . . . 0.0 111.027 -179.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -79.86 -41.7 25.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.864 0.364 . . . . 0.0 110.572 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 54.5 t80 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.824 179.869 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.115 0 CA-C-O 120.711 0.291 . . . . 0.0 111.398 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 65.4 t90 -66.46 -40.01 89.16 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.994 0.426 . . . . 0.0 110.065 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -64.34 -44.25 92.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.965 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.2 tp -72.31 -32.45 42.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.158 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -64.92 -44.04 90.82 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.53 -33.88 76.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.646 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -70.16 -45.97 65.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.478 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.1 mp -65.4 -31.57 72.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.943 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.8 ttpt -81.74 -15.1 55.44 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.234 0.54 . . . . 0.0 110.425 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -90.45 -42.78 10.68 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.109 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 55.1 t80 . . . . . 0 C--N 1.324 -0.503 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.317 -179.357 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.142 0 CA-C-O 120.803 0.335 . . . . 0.0 111.448 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 55.8 m95 -69.58 -45.98 67.4 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.443 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -64.4 -44.83 90.07 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.833 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.1 tt -66.74 -34.85 72.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.958 -179.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -73.25 -34.4 65.82 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.989 -0.285 . . . . 0.0 110.345 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.07 -42.19 85.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.146 0.498 . . . . 0.0 109.673 178.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -64.84 -42.72 94.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.146 179.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 mp -62.19 -36.82 83.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.492 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.7 ttpt -69.67 -34.49 74.04 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.718 179.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -75.66 -41.01 55.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.842 0.353 . . . . 0.0 110.773 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 43.2 t80 . . . . . 0 C--N 1.325 -0.473 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.745 -178.971 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.505 0.193 . . . . 0.0 111.395 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -62.87 -43.56 98.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.863 0.364 . . . . 0.0 110.076 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -61.63 -42.3 98.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.341 179.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.61 -46.51 96.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.723 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 59.3 mtt-85 -62.39 -41.25 98.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.043 -179.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.11 -36.35 81.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.105 0.479 . . . . 0.0 111.058 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -73.55 -42.81 61.19 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.627 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.1 mp -63.52 -41.24 98.51 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.077 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -70.27 -22.96 62.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.081 0.467 . . . . 0.0 110.749 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -80.67 -46.52 15.45 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.28 179.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.0 t80 . . . . . 0 C--N 1.325 -0.473 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.608 -178.791 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.164 0 CA-C-O 120.788 0.328 . . . . 0.0 111.539 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 72.0 m95 -69.71 -31.02 68.8 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.937 0.399 . . . . 0.0 110.388 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -67.18 -46.43 73.98 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.959 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.6 tt -70.01 -34.38 59.44 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-O 120.907 0.384 . . . . 0.0 110.341 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 42.3 mtt180 -65.42 -46.86 78.3 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.459 179.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.55 -46.68 86.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.317 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -61.88 -44.48 96.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.996 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.5 mp -66.42 -30.28 70.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.711 0.291 . . . . 0.0 111.609 -179.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -79.88 -31.53 40.32 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.093 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -84.33 -37.96 20.95 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.296 -179.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 80.7 t80 . . . . . 0 C--N 1.323 -0.55 0 CA-C-O 120.98 0.419 . . . . 0.0 110.904 -179.736 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.224 0 CA-C-O 121.083 0.468 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 62.8 t-105 -80.46 -41.27 24.72 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.823 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -71.17 -40.33 71.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.581 -0.736 . . . . 0.0 112.027 -179.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 15.0 tt -61.69 -39.09 82.02 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.123 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.507 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.2 mtp85 -68.85 -37.89 79.41 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.265 179.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.08 -35.91 80.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.66 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 44.3 tptt -74.61 -40.47 61.53 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.227 179.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.9 mp -62.97 -39.45 94.73 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.949 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.0 pttt -78.85 -16.2 57.38 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.473 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -79.35 -47.5 15.69 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.938 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 12.6 t80 . . . . . 0 C--N 1.329 -0.307 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.397 -179.34 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.159 0 CA-C-O 121.198 0.523 . . . . 0.0 109.809 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 12.8 m95 -78.44 -36.13 45.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.864 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -66.73 -45.3 79.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.899 -179.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.3 tp -62.53 -35.67 71.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.138 -179.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 40.8 ttt180 -72.7 -41.9 64.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.851 0.358 . . . . 0.0 110.382 179.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.598 ' O ' ' HG3' ' A' ' 24' ' ' LYS . . . -67.56 -39.96 84.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.766 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.4 ttmt -65.92 -38.0 87.54 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.407 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.9 mp -72.06 -25.49 61.8 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.976 -179.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.598 ' HG3' ' O ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -87.93 -19.6 27.06 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.547 -0.461 . . . . 0.0 111.073 179.454 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -89.15 -39.57 13.49 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.879 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 22.3 t80 . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.752 -179.471 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.68 0.276 . . . . 0.0 111.59 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 4.4 t-105 -72.05 -43.93 64.13 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.818 0.342 . . . . 0.0 110.375 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -66.83 -36.31 82.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.497 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 47.5 mm -58.3 -42.57 84.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.551 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.4 ttt-85 -64.45 -41.59 96.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.349 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.43 -46.39 86.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.365 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -63.13 -40.78 98.59 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.681 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.5 mp -63.41 -35.13 79.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.611 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.0 tppt? -74.58 -33.45 62.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.583 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -66.96 -44.7 79.85 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.843 0.354 . . . . 0.0 110.963 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 18.7 t80 . . . . . 0 C--N 1.325 -0.479 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.626 -179.612 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.966 0.412 . . . . 0.0 110.489 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 48.4 t-105 -66.13 -35.7 81.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.95 179.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -63.95 -49.9 70.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.051 179.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.2 mt -61.39 -40.03 84.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.833 179.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 20' ' ' ARG . 0.8 OUTLIER -59.98 -50.9 71.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.393 179.407 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.472 ' O ' ' HG2' ' A' ' 25' ' ' GLU . . . -63.96 -41.61 97.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.604 -179.63 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -60.51 -43.97 96.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.735 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.8 mp -74.19 -27.27 60.72 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.471 -178.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.415 ' HA ' ' HD3' ' A' ' 24' ' ' LYS . 30.7 mmtp -78.52 -21.11 49.33 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 121.012 -0.275 . . . . 0.0 111.552 -179.652 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 21' ' ' ALA . 10.1 pt-20 -95.62 -19.39 19.79 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.267 178.278 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.5 t80 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.274 179.327 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.574 ' O ' ' HB2' ' A' ' 20' ' ' ARG . . . . . . . . 0 CA--C 1.518 -0.265 0 CA-C-O 120.625 0.25 . . . . 0.0 111.253 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -68.79 -41.27 78.95 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.996 0.427 . . . . 0.0 110.569 179.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -67.4 -46.87 71.98 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.343 -179.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.523 ' O ' ' HB2' ' A' ' 23' ' ' LEU . 10.9 tp -69.69 -28.71 38.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.819 0.342 . . . . 0.0 110.861 -178.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.574 ' HB2' ' O ' ' A' ' 16' ' ' ALA . 0.1 OUTLIER -75.15 -40.11 59.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.818 0.342 . . . . 0.0 110.282 179.756 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.38 -45.9 68.22 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.79 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.6 tptm -66.41 -34.43 77.93 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.336 -179.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.523 ' HB2' ' O ' ' A' ' 19' ' ' ILE . 1.0 OUTLIER -69.58 -43.5 72.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.281 -179.611 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.9 pttt -77.98 -11.27 59.89 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.726 -179.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.69 -42.98 27.04 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.791 179.176 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.164 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 120.606 0.241 . . . . 0.0 111.343 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 81.0 m95 -74.71 -37.31 62.63 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.824 0.345 . . . . 0.0 110.529 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -68.42 -48.95 63.27 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.968 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.2 tt -67.48 -29.7 46.43 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 -178.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -75.17 -40.3 59.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.765 0.317 . . . . 0.0 110.413 179.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.87 -47.4 78.01 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.82 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -67.03 -35.95 81.01 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.569 -178.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.6 mp -73.24 -33.07 65.1 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.816 0.341 . . . . 0.0 110.593 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.4 ttmt -71.84 -40.43 69.07 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.56 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -66.18 -46.6 76.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.974 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 25.4 t80 . . . . . 0 C--N 1.327 -0.386 0 CA-C-O 121.226 0.536 . . . . 0.0 110.843 -179.594 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.463 ' O ' HG23 ' A' ' 19' ' ' ILE . . . . . . . . 0 CA--C 1.522 -0.112 0 CA-C-O 121.282 0.563 . . . . 0.0 110.528 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 74.0 m95 -67.56 -36.0 80.11 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.587 179.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -77.54 -41.32 39.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.996 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.463 HG23 ' O ' ' A' ' 16' ' ' ALA . 12.5 tt -62.63 -35.77 71.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.106 -178.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.49 -27.23 56.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.991 0.424 . . . . 0.0 110.631 179.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.33 -45.23 26.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.033 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -71.12 -29.21 64.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.411 -179.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.4 mp -75.24 -37.2 61.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.704 -0.225 . . . . 0.0 110.844 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.7 mttt -72.92 -26.01 61.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.916 0.389 . . . . 0.0 110.445 179.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -78.47 -27.57 46.34 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.742 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 12.5 t80 . . . . . 0 C--N 1.325 -0.467 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.952 -179.468 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.2 mmt . . . . . 0 N--CA 1.481 1.098 0 CA-C-O 120.854 0.359 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -88.77 -25.41 22.28 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.21 0.529 . . . . 0.0 110.048 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.1 p -132.2 164.32 35.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.261 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -88.89 153.77 20.78 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 179.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 70.4 mtm-85 -58.43 -42.64 87.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.021 0.439 . . . . 0.0 110.203 179.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.513 ' O ' ' HG2' ' A' ' 6' ' ' MET . 0.0 OUTLIER -128.2 87.28 55.82 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.468 0.651 . . . . 0.0 109.691 178.535 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_endo -85.4 169.03 9.87 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 C-N-CA 123.029 2.486 . . . . 0.0 112.087 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.4 ttmt -111.03 -150.19 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 111.84 -95.6 0.82 Allowed Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.436 -0.887 . . . . 0.0 111.2 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 31.5 t -101.44 97.2 5.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.5 p -135.86 149.9 28.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.79 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 76.7 mt -115.67 112.49 22.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.217 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.1 m -96.16 107.11 19.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.166 0.508 . . . . 0.0 110.971 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -156.33 -147.33 4.72 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.339 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.1 tptp -92.19 -0.03 57.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.586 0.232 . . . . 0.0 111.358 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.34 -28.35 68.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.806 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.466 ' O ' ' HG2' ' A' ' 20' ' ' ARG . 31.7 t-105 -80.91 -29.32 35.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.91 0.386 . . . . 0.0 110.761 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -81.81 -42.39 19.75 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.57 -179.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.2 tt -63.5 -30.9 51.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.274 -178.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.466 ' HG2' ' O ' ' A' ' 17' ' ' TRP . 5.5 ptm180 -74.44 -27.86 60.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.818 0.342 . . . . 0.0 110.858 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.02 -45.96 19.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.186 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.2 tptm -63.38 -41.5 98.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.953 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.3 mp -71.97 -19.28 61.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.111 -179.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -83.24 -40.44 19.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.96 0.409 . . . . 0.0 110.622 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -70.19 -35.19 73.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.213 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -86.13 -35.05 20.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.778 0.323 . . . . 0.0 110.59 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -84.5 47.53 3.87 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 121.249 -0.5 . . . . 0.0 112.663 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.1 ttm180 -107.53 104.43 13.98 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.74 111.72 3.85 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.012 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -94.57 72.48 3.7 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.28 0.562 . . . . 0.0 110.987 -178.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -99.76 -4.72 30.0 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.028 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -56.57 -41.88 77.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.664 -179.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.4 t -67.48 -42.19 86.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.149 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -64.86 -38.29 90.49 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.058 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -80.42 -8.89 59.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.064 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.53 -36.59 15.27 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.398 -179.398 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.0 tt -79.55 105.21 8.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.4 0.619 . . . . 0.0 111.069 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 m -97.6 101.61 13.17 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.373 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.7 tptm -130.95 101.25 16.76 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.806 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo . . . . . 0 C--O 1.247 0.949 0 C-N-CA 122.617 2.211 . . . . 0.0 111.939 179.596 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.6 mtm . . . . . 0 N--CA 1.483 1.198 0 CA-C-O 120.88 0.371 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -86.58 -54.14 4.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.769 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.9 m -84.26 139.94 16.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.394 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 13.1 p80 -165.02 151.7 10.53 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.301 -179.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.0 ttt180 66.3 74.38 0.35 Allowed 'General case' 0 C--N 1.333 -0.136 0 O-C-N 123.7 0.625 . . . . 0.0 110.585 179.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 49.1 mtt 62.82 83.12 0.21 Allowed Pre-proline 0 N--CA 1.465 0.3 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.781 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -68.64 -170.66 0.33 Allowed 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 122.846 2.364 . . . . 0.0 112.215 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.8 ptmm? -132.58 89.97 2.72 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.156 0.503 . . . . 0.0 110.825 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.77 109.71 1.98 Allowed Glycine 0 N--CA 1.448 -0.555 0 N-CA-C 111.327 -0.709 . . . . 0.0 111.327 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.4 t 51.76 56.78 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-O 121.556 0.693 . . . . 0.0 110.445 -179.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 22.1 m -116.1 13.75 7.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.368 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.8 mp -87.15 53.69 2.91 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.006 0.432 . . . . 0.0 110.296 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.4 t -117.62 -70.47 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.586 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -155.79 63.88 0.33 Allowed Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 121.136 -0.555 . . . . 0.0 112.02 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.1 tttm -69.53 -29.01 66.52 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.728 0.299 . . . . 0.0 110.891 -179.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.92 -31.43 68.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.273 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 60.3 t-105 -64.15 -42.33 96.82 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.96 179.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -71.39 -39.55 71.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.907 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 87.5 mt -60.91 -46.99 95.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.831 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -61.47 -39.94 92.71 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.796 0.331 . . . . 0.0 111.248 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.63 -45.57 71.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.4 ttpt -65.21 -40.24 93.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.217 -179.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.7 mp -66.34 -27.88 68.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.044 0.45 . . . . 0.0 110.81 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.539 ' HE3' ' OH ' ' A' ' 32' ' ' TYR . 37.8 ttpt -76.47 -46.1 28.34 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.841 179.209 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -67.03 -43.64 82.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.039 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -83.26 -2.96 56.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.907 0.384 . . . . 0.0 111.1 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -104.58 -46.13 1.34 Allowed Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.482 -0.866 . . . . 0.0 112.139 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.7 mmm-85 -87.26 64.27 8.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 122.588 -0.36 . . . . 0.0 110.491 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -58.5 -75.24 0.05 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.178 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 53.4 p90 -94.89 -6.74 41.97 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.363 0.601 . . . . 0.0 110.016 179.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 61.1 tp60 -71.62 -25.68 62.26 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.64 -178.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.539 ' OH ' ' HE3' ' A' ' 24' ' ' LYS . 0.5 OUTLIER -61.13 -44.77 96.81 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 121.087 -0.245 . . . . 0.0 111.359 -179.457 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 20.9 m -74.57 -10.4 13.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.89 0.376 . . . . 0.0 111.191 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 37.5 tttm -91.79 -31.92 15.57 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.415 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -89.87 -32.96 16.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.066 0.46 . . . . 0.0 110.604 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -85.67 91.27 8.24 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.939 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.3 pt -133.31 21.42 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.212 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -104.38 106.81 17.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.589 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 46.2 tttp -112.48 128.31 25.71 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.568 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo . . . . . 0 C--O 1.254 1.323 0 C-N-CA 122.466 2.111 . . . . 0.0 112.84 -179.794 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.2 ttp . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 52.4 mttm -125.35 172.57 9.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.743 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.9 p -67.18 124.49 22.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.242 0.544 . . . . 0.0 110.252 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 -148.73 -26.37 0.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.406 -179.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.512 ' HA ' ' NE ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -68.07 -53.29 26.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.843 0.354 . . . . 0.0 110.673 -179.695 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 8.1 ptp -149.14 89.76 4.82 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.304 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -73.96 -27.81 11.77 Favored 'Trans proline' 0 CA--C 1.528 0.177 0 C-N-CA 122.72 2.28 . . . . 0.0 112.208 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -143.53 174.57 10.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.162 179.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -148.51 123.36 1.65 Allowed Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.978 -0.629 . . . . 0.0 111.741 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.7 t -94.57 101.27 12.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.3 m -122.6 148.05 26.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.954 0.407 . . . . 0.0 110.946 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.8 tp -82.82 75.31 9.73 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.313 0.578 . . . . 0.0 110.145 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.3 m -111.17 25.78 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.452 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 130.16 -150.49 19.15 Favored Glycine 0 N--CA 1.444 -0.792 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.793 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -90.29 33.56 0.89 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.732 0.301 . . . . 0.0 111.044 -179.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.95 -42.17 72.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.503 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 67.3 t90 -64.72 -44.92 88.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.307 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -60.58 -41.84 95.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.751 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.2 mt -61.79 -48.29 89.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.382 179.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.1 mtp-105 -59.94 -46.04 90.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.119 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.46 -45.21 91.9 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.651 -179.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.485 ' O ' ' HB2' ' A' ' 26' ' ' TYR . 50.3 tttm -67.49 -39.84 85.22 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.964 -179.195 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.8 mp -65.23 -37.8 88.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.217 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.1 ttpp -66.98 -42.02 85.79 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.348 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.51 -25.34 45.58 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.736 -0.386 . . . . 0.0 111.096 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.485 ' HB2' ' O ' ' A' ' 22' ' ' LYS . 1.0 OUTLIER -77.08 -36.32 55.89 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 178.685 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -105.07 48.13 1.0 Allowed Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 115.469 -0.787 . . . . 0.0 112.006 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.6 ttm180 -71.07 95.74 1.25 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.005 0.431 . . . . 0.0 110.68 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.12 -56.08 13.25 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.983 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -132.11 129.83 40.41 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.069 0.461 . . . . 0.0 111.168 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.56 -26.39 26.19 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.017 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -62.48 -44.26 96.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.406 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.4 t -68.0 -23.97 29.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.24 0.543 . . . . 0.0 110.759 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -75.05 -37.97 61.51 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.112 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -89.25 -21.31 23.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.518 -179.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -80.5 78.95 7.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.132 0.491 . . . . 0.0 110.775 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 18.2 pt -122.24 -18.46 4.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.851 -179.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.432 ' O ' ' HB3' ' A' ' 39' ' ' LYS . 70.1 m -95.63 -39.41 9.93 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.667 -0.242 . . . . 0.0 111.568 -179.365 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.432 ' HB3' ' O ' ' A' ' 38' ' ' SER . 72.5 tttt 68.82 94.69 0.05 OUTLIER Pre-proline 0 N--CA 1.464 0.236 0 O-C-N 123.555 0.534 . . . . 0.0 109.861 -179.344 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo . . . . . 0 C--O 1.253 1.252 0 C-N-CA 122.705 2.27 . . . . 0.0 112.314 -179.476 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.8 ptp . . . . . 0 N--CA 1.481 1.119 0 CA-C-O 120.507 0.194 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.5 pttm -166.65 146.01 5.61 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.4 p -90.19 -46.13 14.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.67 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -164.24 165.55 21.83 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 29.8 ttm180 -77.31 -23.73 51.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.269 0.557 . . . . 0.0 109.81 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -138.15 69.7 48.59 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.345 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -94.96 13.83 1.33 Allowed 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 123.136 2.557 . . . . 0.0 112.795 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.1 ptmt -107.61 104.21 13.69 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.012 -179.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -86.84 79.71 1.8 Allowed Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.874 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 13.7 m -85.31 150.92 3.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 110.434 -0.21 . . . . 0.0 110.434 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.7 p -157.73 147.32 9.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.559 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -100.6 172.81 6.87 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.4 m -97.91 75.09 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.387 0.613 . . . . 0.0 110.932 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 173.66 160.95 22.99 Favored Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.85 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.412 ' O ' HG12 ' A' ' 19' ' ' ILE . 82.6 mttt 64.55 50.88 2.08 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 121.32 0.581 . . . . 0.0 110.112 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.9 -40.84 85.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.303 -0.862 . . . . 0.0 112.214 -178.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.2 m-90 -67.64 -32.38 73.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.896 0.379 . . . . 0.0 110.358 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.402 ' HA ' ' OE1' ' A' ' 18' ' ' GLU . 32.3 tp10 -72.12 -37.72 69.43 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.813 179.321 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 15' ' ' LYS . 37.3 mm -65.89 -42.79 92.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.705 178.692 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -44.09 97.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.187 179.392 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.45 -39.43 92.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.888 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 46.9 tptt -68.28 -43.62 77.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.145 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.4 mp -64.07 -33.82 76.62 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.074 0.464 . . . . 0.0 110.45 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -78.34 -20.01 52.25 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.153 0.501 . . . . 0.0 110.082 178.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -83.53 -43.72 15.43 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.514 179.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -86.84 -32.96 19.99 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -178.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -101.14 -55.15 0.93 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.351 -0.928 . . . . 0.0 112.934 -178.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.8 ttp180 62.32 39.76 11.99 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 121.244 0.545 . . . . 0.0 110.79 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.3 m -75.6 106.34 7.1 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.423 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -81.83 74.13 8.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.101 0.476 . . . . 0.0 110.455 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -77.92 -26.49 49.04 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.066 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -57.77 -43.18 85.33 Favored 'General case' 0 C--O 1.225 -0.235 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.928 -179.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.5 m -73.26 -7.87 10.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.892 0.377 . . . . 0.0 111.673 -179.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 40.5 mttt -94.56 -43.83 8.13 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 178.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -76.46 -32.45 58.4 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.777 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 5.0 m95 -113.23 119.04 36.36 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.887 179.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 42.5 mm -81.03 78.36 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.3 m 66.9 -175.29 0.19 Allowed 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.582 -179.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.7 mmmm -118.39 93.05 44.66 Favored Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 122.166 -0.334 . . . . 0.0 110.655 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo . . . . . 0 C--O 1.248 0.99 0 C-N-CA 122.877 2.385 . . . . 0.0 111.779 179.311 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.2 mtt . . . . . 0 N--CA 1.477 0.89 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.5 tmtp? -103.46 -32.95 9.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.859 0.361 . . . . 0.0 110.765 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.3 p -76.75 122.31 30.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.988 0.423 . . . . 0.0 110.433 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -104.17 -34.75 8.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.542 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -160.2 -54.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.516 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -104.41 106.97 56.36 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.642 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -81.28 70.67 7.32 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 122.753 2.302 . . . . 0.0 111.914 179.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -70.53 122.29 19.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.891 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -110.96 13.23 29.23 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.6 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.4 m -120.04 140.03 45.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.792 0.329 . . . . 0.0 110.904 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.2 p -131.69 -10.99 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.375 0.607 . . . . 0.0 110.198 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.42 ' HG ' HG21 ' A' ' 13' ' ' VAL . 32.9 tp -135.0 138.91 44.43 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.036 -179.703 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.42 HG21 ' HG ' ' A' ' 12' ' ' LEU . 2.5 t 61.46 51.38 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-O 121.518 0.675 . . . . 0.0 110.27 -179.621 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.59 40.34 1.47 Allowed Glycine 0 N--CA 1.451 -0.329 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.862 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.9 tttt -75.31 -19.76 59.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.893 0.377 . . . . 0.0 111.037 -179.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.78 -30.49 68.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.278 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -73.48 -37.45 65.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.591 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -64.25 -38.09 89.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.952 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 76.0 mt -62.19 -45.97 97.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.18 179.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -60.6 -42.33 96.53 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.158 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.24 -44.01 96.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.147 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -65.72 -44.57 85.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.957 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.2 mp -65.35 -34.3 78.01 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.926 -179.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -74.36 -38.1 63.29 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.776 0.322 . . . . 0.0 110.854 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -74.37 -40.7 61.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.311 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -77.01 -32.91 57.49 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.33 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -90.18 -81.91 1.36 Allowed Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.379 -0.915 . . . . 0.0 112.262 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 28' ' ' ARG . 1.9 ttm180 63.62 26.37 14.61 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 122.693 0.397 . . . . 0.0 111.536 179.574 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.5 t -87.85 -12.9 43.54 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.983 0.421 . . . . 0.0 110.606 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.9 p90 -110.16 141.9 42.44 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.445 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -120.14 8.57 10.96 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.138 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -57.8 -47.8 81.55 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.894 0.378 . . . . 0.0 111.331 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.3 p -76.38 -5.14 6.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.278 0.561 . . . . 0.0 111.206 -179.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 32.4 tttt -92.63 -36.45 12.97 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.234 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -84.71 -37.89 20.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.579 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 66.7 t90 -97.07 107.68 20.26 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.675 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 61.4 mt -119.28 113.0 39.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.189 0.519 . . . . 0.0 110.984 -179.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.48 ' O ' ' HD3' ' A' ' 40' ' ' PRO . 68.1 m -155.09 165.62 36.14 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.525 179.396 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -104.29 101.0 24.22 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-O 120.882 0.372 . . . . 0.0 110.405 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.48 ' HD3' ' O ' ' A' ' 38' ' ' SER . 58.7 Cg_endo . . . . . 0 N--CA 1.448 -1.161 0 C-N-CA 123.204 2.603 . . . . 0.0 112.087 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.478 0.963 0 CA-C-O 121.061 0.457 . . . . 0.0 110.429 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 37.9 mtpt -130.97 176.3 8.35 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.285 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.401 HG23 ' H ' ' A' ' 4' ' ' HIS . 4.5 p -86.97 157.96 3.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.024 179.374 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.401 ' H ' HG23 ' A' ' 3' ' ' VAL . 29.6 m80 -77.09 166.25 23.52 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.737 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? -55.19 -55.51 30.41 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.293 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 34.4 ttm -126.83 88.48 54.31 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.604 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_exo -66.67 -31.92 39.22 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.815 2.343 . . . . 0.0 111.314 179.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.5 tmtm? -135.46 114.01 11.71 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.454 179.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.5 146.58 20.18 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.688 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 29.8 m -102.33 10.88 8.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.316 0.579 . . . . 0.0 110.034 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.5 p -148.27 141.44 18.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.63 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.3 mp -131.93 65.0 1.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.079 0.466 . . . . 0.0 110.432 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.5 m -98.23 33.85 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.958 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -149.87 155.1 26.09 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.744 -0.741 . . . . 0.0 111.846 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -66.44 -39.46 88.92 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.552 0.215 . . . . 0.0 111.357 -179.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.71 -35.49 76.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.432 -179.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 88.5 m95 -66.41 -48.72 69.16 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.964 0.411 . . . . 0.0 110.581 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.97 -39.95 68.95 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.999 -178.514 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.6 tt -64.87 -38.17 82.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.467 -178.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -72.26 -38.23 68.92 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.045 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.93 -40.39 83.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.978 0.418 . . . . 0.0 110.422 179.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.5 ttpt -67.56 -46.0 73.97 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.459 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.0 mp -63.46 -37.83 88.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.666 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -72.94 -20.81 60.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.758 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.94 -38.92 31.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.788 0.328 . . . . 0.0 110.594 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -87.53 -35.4 18.18 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.868 0.366 . . . . 0.0 111.115 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -101.58 56.1 0.72 Allowed Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.851 -0.69 . . . . 0.0 111.573 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -64.44 -40.56 95.98 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.869 0.366 . . . . 0.0 111.406 -179.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -132.62 12.51 4.46 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.138 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -60.9 107.07 0.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.11 -179.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.6 mm-40 67.45 9.36 6.96 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.694 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -69.45 -30.35 68.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.079 0.466 . . . . 0.0 110.149 -179.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 19.0 t -66.29 -48.12 82.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.075 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 47.8 mtpt -68.53 -23.31 64.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.792 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -72.63 -20.37 61.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.448 0.642 . . . . 0.0 110.052 179.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -94.02 -47.96 6.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.804 179.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 16.0 pt -96.06 51.19 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.285 0.564 . . . . 0.0 111.023 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.2 m -77.07 81.41 3.59 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.711 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -162.55 77.15 1.98 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.196 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo . . . . . 0 C--O 1.248 0.991 0 C-N-CA 123.191 2.594 . . . . 0.0 112.412 -179.879 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 pmm? . . . . . 0 N--CA 1.48 1.06 0 CA-C-O 120.943 0.401 . . . . 0.0 110.589 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.7 mmmt -141.24 -61.41 0.48 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.166 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.7 p -155.6 113.58 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.193 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 4.1 t-160 -146.87 25.88 1.14 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.317 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 17.5 mtp180 -112.73 -87.7 0.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.652 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 9.3 mmt -118.67 83.95 23.45 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 120.863 0.363 . . . . 0.0 110.456 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -88.47 154.06 6.5 Favored 'Trans proline' 0 N--CA 1.453 -0.866 0 C-N-CA 122.73 2.286 . . . . 0.0 112.299 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -97.52 61.78 1.66 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.335 0.588 . . . . 0.0 109.83 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -88.74 78.05 1.74 Allowed Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.09 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.7 t -80.94 65.94 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.432 0.634 . . . . 0.0 110.417 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.9 m -120.05 17.3 6.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.946 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.0 mt 66.61 -167.7 0.21 Allowed 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.723 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.421 HG23 ' H ' ' A' ' 14' ' ' GLY . 1.7 m -126.71 -54.73 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.047 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.421 ' H ' HG23 ' A' ' 13' ' ' VAL . . . 61.25 -123.34 32.08 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.204 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.482 ' O ' HG12 ' A' ' 19' ' ' ILE . 5.9 tmtp? -68.84 -26.14 65.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.697 0.284 . . . . 0.0 110.921 -179.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.16 -24.17 67.03 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.331 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 39.5 t-105 -68.82 -44.46 73.46 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.029 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -68.46 -33.13 73.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.924 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.482 HG12 ' O ' ' A' ' 15' ' ' LYS . 38.3 mm -63.13 -39.98 87.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.506 178.684 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.3 ttt180 -62.93 -41.6 99.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.953 179.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.2 -46.17 78.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.831 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -60.66 -40.36 91.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.035 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.8 mp -65.46 -34.13 77.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.356 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.491 ' HD3' ' OE1' ' A' ' 31' ' ' GLN . 21.3 mmtp -79.46 -27.95 41.58 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.938 0.399 . . . . 0.0 111.425 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -80.31 -38.33 30.89 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.024 -179.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -87.55 -35.31 18.21 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.69 -179.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -87.22 -87.73 1.08 Allowed Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.33 -0.938 . . . . 0.0 112.686 -178.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 63.76 20.79 12.4 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 123.024 0.53 . . . . 0.0 111.587 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.09 111.68 8.43 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.052 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 57.9 55.11 5.57 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.258 0.551 . . . . 0.0 110.678 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.537 HE21 ' CA ' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -87.64 -12.39 45.64 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.812 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -63.01 -39.68 95.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.016 0.436 . . . . 0.0 110.633 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 19.4 m -77.55 -8.38 11.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.999 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.407 ' O ' ' HB3' ' A' ' 38' ' ' SER . 35.3 tptt -88.75 -23.32 22.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.134 0.492 . . . . 0.0 109.836 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -98.24 -22.02 16.37 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.327 178.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 43.6 t-105 -81.88 106.37 13.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.274 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.3 mt 54.8 63.51 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-O 121.532 0.682 . . . . 0.0 110.685 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.407 ' HB3' ' O ' ' A' ' 34' ' ' LYS . 0.1 OUTLIER -84.21 75.55 10.18 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.482 -179.896 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -119.3 102.58 48.19 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.658 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo . . . . . 0 C--O 1.249 1.06 0 C-N-CA 122.927 2.418 . . . . 0.0 111.529 179.129 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 mmt . . . . . 0 N--CA 1.481 1.091 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -69.2 -54.98 12.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.919 0.39 . . . . 0.0 110.217 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.6 p -80.5 133.83 28.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.31 0.576 . . . . 0.0 110.127 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -97.99 51.18 1.03 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.498 0.666 . . . . 0.0 110.314 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.31 26.95 16.47 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 114.421 -1.263 . . . . 0.0 111.999 179.279 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 12.9 ttt -164.02 94.93 1.01 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.433 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -86.72 104.9 0.67 Allowed 'Trans proline' 0 N--CA 1.455 -0.762 0 C-N-CA 122.952 2.435 . . . . 0.0 112.235 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -94.91 147.95 22.83 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.451 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 125.0 65.79 0.19 Allowed Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.837 -179.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 38.1 t -90.61 103.21 14.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.935 0.397 . . . . 0.0 111.29 -179.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.9 m -116.17 15.71 7.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.422 0.629 . . . . 0.0 110.135 179.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 31.4 mt -79.98 122.05 26.24 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.97 -179.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 20.2 t -79.36 135.91 24.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.442 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 133.18 -52.17 0.83 Allowed Glycine 0 N--CA 1.448 -0.55 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.923 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.2 pttt -103.42 25.96 8.99 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.139 0.495 . . . . 0.0 110.692 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.93 -37.22 86.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.825 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 21.9 m-90 -72.53 -24.43 61.14 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.451 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -74.9 -48.72 23.26 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.12 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.46 ' O ' ' HB2' ' A' ' 23' ' ' LEU . 8.0 tp -66.15 -31.47 53.8 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.984 -179.619 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -67.48 -42.68 82.55 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-O 121.034 0.445 . . . . 0.0 110.276 178.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.59 -43.08 73.51 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.56 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -64.59 -41.86 95.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.181 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.46 ' HB2' ' O ' ' A' ' 19' ' ' ILE . 1.0 OUTLIER -67.71 -32.99 74.01 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.158 -179.309 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -69.73 -37.74 76.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.869 0.366 . . . . 0.0 111.186 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -74.06 -33.75 63.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.22 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -82.23 -41.94 19.6 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.73 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -102.12 57.5 0.63 Allowed Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 111.606 -0.598 . . . . 0.0 111.606 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -70.01 92.09 0.71 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.175 0.512 . . . . 0.0 110.838 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 15.2 t -97.18 7.63 46.21 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.277 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 67.19 -173.19 0.19 Allowed 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.496 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.17 25.99 10.09 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.158 0.504 . . . . 0.0 110.653 -179.389 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -58.69 -47.62 83.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.699 -178.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.9 t -67.08 -27.65 40.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.179 0.514 . . . . 0.0 111.121 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.8 tmtt? -74.36 -40.48 62.09 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.363 -179.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -77.87 -42.13 34.47 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.23 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 5.9 t90 -98.66 56.89 1.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.548 0.69 . . . . 0.0 109.595 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 11.6 tt -66.73 126.37 26.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.763 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 m -110.74 168.42 9.49 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.99 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.42 ' N ' ' HD3' ' A' ' 40' ' ' PRO . 32.0 ttpt 60.46 64.58 2.47 Favored Pre-proline 0 CA--C 1.537 0.46 0 O-C-N 123.66 0.6 . . . . 0.0 111.016 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.42 ' HD3' ' N ' ' A' ' 39' ' ' LYS . 10.3 Cg_endo . . . . . 0 C--O 1.247 0.964 0 C-N-CA 123.258 2.639 . . . . 0.0 111.967 -179.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.0 mmt . . . . . 0 N--CA 1.484 1.257 0 CA-C-O 120.503 0.192 . . . . 0.0 111.43 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -118.78 132.44 56.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.645 0.259 . . . . 0.0 110.465 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 32.6 m -121.72 167.98 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.044 179.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -83.59 58.47 4.6 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.37 -179.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 33.6 ttt180 49.52 66.66 1.06 Allowed 'General case' 0 C--O 1.235 0.298 0 O-C-N 123.626 0.579 . . . . 0.0 111.096 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 13.5 mmt 61.72 84.27 0.19 Allowed Pre-proline 0 N--CA 1.468 0.458 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.947 -178.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -74.51 136.05 20.96 Favored 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 122.925 2.416 . . . . 0.0 112.584 -178.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.0 mmtp -132.54 175.74 9.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.595 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.64 143.99 17.1 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.744 -0.741 . . . . 0.0 111.321 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.7 m -72.86 128.74 35.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.04 0.448 . . . . 0.0 110.671 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 16.0 m -112.31 16.22 8.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.784 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 53.8 tp -69.16 130.48 42.8 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.588 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.2 t -89.69 98.58 8.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.966 179.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 115.8 162.05 13.13 Favored Glycine 0 N--CA 1.447 -0.575 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 -179.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt 60.59 26.4 16.09 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.888 0.375 . . . . 0.0 110.904 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.94 -19.47 65.73 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.371 -179.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 7.7 t90 -82.32 -34.16 28.68 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.035 0.445 . . . . 0.0 109.98 179.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -69.64 -44.9 69.66 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.734 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.1 tp -65.08 -34.26 69.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.024 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.43 ' HG3' ' N ' ' A' ' 21' ' ' ALA . 0.5 OUTLIER -71.21 -32.0 68.28 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 121.053 -0.259 . . . . 0.0 110.511 179.894 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.43 ' N ' ' HG3' ' A' ' 20' ' ' ARG . . . -70.95 -42.0 70.37 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.096 0.474 . . . . 0.0 110.276 179.559 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 50.3 tttp -69.16 -30.47 68.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.233 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.0 mp -82.71 -19.2 38.48 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.867 179.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.2 ttmt -84.14 -29.92 26.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.759 0.314 . . . . 0.0 111.027 -179.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -79.86 -41.7 25.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.864 0.364 . . . . 0.0 110.572 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -83.46 -37.0 23.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.824 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -115.89 59.43 0.44 Allowed Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.888 -179.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.1 ptt-85 -58.68 107.67 0.54 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.25 0.548 . . . . 0.0 110.9 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.06 13.29 27.63 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.599 0.714 . . . . 0.0 110.522 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 29.0 p90 -120.13 151.75 38.62 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.62 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 64.12 25.46 13.72 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 123.526 0.516 . . . . 0.0 111.544 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -64.32 -34.45 78.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.939 0.399 . . . . 0.0 110.729 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 28.8 m -76.33 -15.03 15.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.255 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.3 mtpt -97.55 -28.38 13.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.29 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -80.37 -33.79 36.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.355 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 59.6 t90 -110.43 123.15 49.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.0 tt -77.88 126.66 38.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.826 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.6 m -83.99 136.84 33.9 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.113 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 56.5 tptt 62.65 76.28 0.38 Allowed Pre-proline 0 C--O 1.235 0.305 0 CA-C-O 121.388 0.613 . . . . 0.0 110.893 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo . . . . . 0 C--O 1.25 1.101 0 C-N-CA 123.178 2.585 . . . . 0.0 112.08 -179.83 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.484 1.266 0 CA-C-O 120.586 0.232 . . . . 0.0 111.285 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 40.6 mttt -134.01 167.56 20.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.863 0.363 . . . . 0.0 110.941 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.7 p -152.6 154.83 7.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.491 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 29.5 m170 -98.41 -177.99 3.88 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 110.07 -0.344 . . . . 0.0 110.07 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -70.96 -44.84 65.23 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.975 0.417 . . . . 0.0 110.567 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 25.1 ttt -117.22 92.24 39.23 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.031 179.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -81.6 85.65 1.7 Allowed 'Trans proline' 0 N--CA 1.459 -0.53 0 C-N-CA 122.638 2.225 . . . . 0.0 111.868 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.3 mttt 71.81 179.28 0.24 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.514 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -118.99 134.32 10.73 Favored Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 111.621 -0.592 . . . . 0.0 111.621 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.8 m -86.51 150.24 3.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.974 0.416 . . . . 0.0 111.336 -179.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.0 m -118.44 36.28 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.859 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.9 mp -69.76 159.8 32.88 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.166 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.9 m -90.31 34.09 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.95 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -93.47 -155.52 31.95 Favored Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 115.819 -0.628 . . . . 0.0 112.087 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.4 mttm 62.99 36.72 12.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.101 0.477 . . . . 0.0 110.211 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.4 -45.78 92.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.398 -179.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 65.4 t90 -66.46 -40.01 89.16 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.994 0.426 . . . . 0.0 110.065 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -64.34 -44.25 92.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.965 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.2 tp -72.31 -32.45 42.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.158 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -64.92 -44.04 90.82 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.53 -33.88 76.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.646 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -70.16 -45.97 65.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.478 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.1 mp -65.4 -31.57 72.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.943 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.8 ttpt -81.74 -15.1 55.44 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.234 0.54 . . . . 0.0 110.425 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -90.45 -42.78 10.68 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.109 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -86.15 -32.35 21.32 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.317 -179.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -110.48 68.82 0.22 Allowed Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.477 -179.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.8 ptt180 -106.54 42.03 1.34 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.09 0.471 . . . . 0.0 110.381 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.61 -43.51 69.18 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.014 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 68.07 15.98 9.47 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.612 179.327 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.14 -53.03 59.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.753 -179.25 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -64.73 -22.61 67.02 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -178.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 58.4 t -77.41 -44.13 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.833 0.349 . . . . 0.0 110.441 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.6 mttm -72.23 -29.46 63.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.794 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -79.78 -10.72 59.82 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.986 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.402 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 1.1 t90 -90.69 139.97 30.21 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.771 -179.424 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.0 tt -77.89 -16.78 14.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.458 0.647 . . . . 0.0 110.153 178.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.6 t -84.29 -42.1 16.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.792 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' A' ' 36' ' ' TRP . 46.6 mtpt 53.39 75.65 0.61 Allowed Pre-proline 0 N--CA 1.468 0.434 0 O-C-N 123.553 0.533 . . . . 0.0 111.47 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo . . . . . 0 C--O 1.249 1.044 0 C-N-CA 123.224 2.616 . . . . 0.0 112.555 -179.48 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.124 0 CA-C-O 120.919 0.39 . . . . 0.0 110.726 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -159.72 -167.99 2.14 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.685 179.627 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.7 p -61.23 131.39 26.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.01 0.433 . . . . 0.0 110.726 179.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -66.47 -71.09 0.21 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.232 -179.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.412 ' HG2' ' SD ' ' A' ' 6' ' ' MET . 16.9 ttm-85 -166.25 145.94 6.06 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.393 -179.39 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.412 ' SD ' ' HG2' ' A' ' 5' ' ' ARG . 1.7 mpt? 55.3 75.51 0.59 Allowed Pre-proline 0 N--CA 1.466 0.344 0 O-C-N 124.109 0.881 . . . . 0.0 111.675 179.575 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -66.52 108.99 1.51 Allowed 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.061 1.841 . . . . 0.0 111.753 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 57.4 pttt -67.7 140.95 56.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.505 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.27 170.6 23.62 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.06 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.1 m -130.59 124.53 57.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.743 0.306 . . . . 0.0 110.889 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.1 p -153.46 135.38 5.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -121.03 158.48 27.71 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.374 -179.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 59.5 t -85.04 104.95 13.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.9 179.064 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 91.04 -148.94 19.62 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.786 -0.721 . . . . 0.0 111.618 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 49.4 mttt 60.53 35.56 20.14 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.974 0.416 . . . . 0.0 110.562 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.84 -36.14 80.32 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.448 -179.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 55.8 m95 -69.58 -45.98 67.4 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.443 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -64.4 -44.83 90.07 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.833 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.1 tt -66.74 -34.85 72.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.958 -179.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -73.25 -34.4 65.82 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.989 -0.285 . . . . 0.0 110.345 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.07 -42.19 85.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.146 0.498 . . . . 0.0 109.673 178.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -64.84 -42.72 94.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.146 179.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 mp -62.19 -36.82 83.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.492 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.7 ttpt -69.67 -34.49 74.04 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.718 179.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -75.66 -41.01 55.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.842 0.353 . . . . 0.0 110.773 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -78.71 -37.14 42.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.745 -178.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -145.77 82.06 0.2 Allowed Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.271 -179.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.3 ttt-85 -69.46 -0.81 7.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.023 0.44 . . . . 0.0 111.347 -179.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 p -71.97 -24.46 61.6 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.355 179.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 57.88 43.76 21.02 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.283 -0.872 . . . . 0.0 111.042 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -52.32 -41.64 63.14 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.493 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -64.72 -42.73 95.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.061 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.9 t -74.98 -15.66 15.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.251 0.548 . . . . 0.0 110.948 -179.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.0 tmtt? -81.09 -41.26 22.82 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.656 178.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.35 -37.78 25.18 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.65 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 89.6 t90 -112.98 108.4 17.3 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.523 179.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 31.5 pt -91.82 148.5 4.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.343 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.85 59.07 4.11 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.0 0.429 . . . . 0.0 111.012 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -116.66 100.12 53.23 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.117 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo . . . . . 0 C--O 1.248 0.991 0 C-N-CA 122.44 2.093 . . . . 0.0 111.94 179.571 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.0 ttt . . . . . 0 N--CA 1.479 1.004 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.3 tmtt? -72.72 -48.13 41.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.216 -179.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.458 HG11 ' H ' ' A' ' 5' ' ' ARG . 9.7 p -65.56 -34.53 71.0 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-O 120.798 0.332 . . . . 0.0 110.95 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 29.4 t60 59.96 17.05 6.28 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.749 179.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.458 ' H ' HG11 ' A' ' 3' ' ' VAL . 4.5 mpt_? -144.59 -167.03 2.54 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.543 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 20.3 mmt -107.7 96.43 16.93 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-O 120.623 0.249 . . . . 0.0 110.516 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -80.4 154.98 21.61 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.924 2.416 . . . . 0.0 111.658 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.63 167.25 24.22 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.046 0.45 . . . . 0.0 111.189 -179.017 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.82 83.93 0.91 Allowed Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.067 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 18.7 m -67.88 -6.2 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.82 0.343 . . . . 0.0 111.635 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 17.2 m -79.31 -26.37 12.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.988 179.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.2 mp 59.84 83.45 0.13 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.743 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.9 m -82.23 -12.55 12.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.219 -179.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 100.33 98.15 2.25 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.486 -0.864 . . . . 0.0 112.089 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.6 mttp -66.53 -16.01 63.82 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.619 0.229 . . . . 0.0 111.619 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.76 -39.98 82.56 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.709 -0.223 . . . . 0.0 111.395 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -62.87 -43.56 98.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.863 0.364 . . . . 0.0 110.076 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -61.63 -42.3 98.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.341 179.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.61 -46.51 96.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.723 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 59.3 mtt-85 -62.39 -41.25 98.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.043 -179.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.11 -36.35 81.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.105 0.479 . . . . 0.0 111.058 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -73.55 -42.81 61.19 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.627 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.1 mp -63.52 -41.24 98.51 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.077 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -70.27 -22.96 62.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.081 0.467 . . . . 0.0 110.749 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -80.67 -46.52 15.45 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.28 179.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -75.28 -36.53 61.18 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.608 -178.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -124.22 72.82 0.42 Allowed Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.405 -0.902 . . . . 0.0 112.733 -179.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.5 tpp180 -61.92 131.43 49.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.828 0.347 . . . . 0.0 110.149 179.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -78.92 67.69 4.69 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.957 -179.355 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -140.13 15.03 2.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.18 0.514 . . . . 0.0 111.083 179.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -89.11 12.39 15.86 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.859 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -60.94 -49.17 78.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.625 -178.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.2 p -63.08 -36.2 74.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.049 0.452 . . . . 0.0 111.002 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.7 ttmt -69.43 -45.48 69.06 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.474 179.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -65.35 -35.17 80.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.23 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 11.7 t-105 -64.5 -48.35 75.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.632 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 20.6 mm -92.4 70.4 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.511 0.672 . . . . 0.0 110.657 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.2 m -139.5 74.52 1.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.176 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.1 mtmm 61.44 65.17 1.9 Allowed Pre-proline 0 N--CA 1.464 0.262 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.273 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_exo . . . . . 0 C--O 1.247 0.941 0 C-N-CA 122.817 2.344 . . . . 0.0 111.847 -179.821 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ttt . . . . . 0 N--CA 1.48 1.037 0 CA-C-O 120.669 0.271 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -86.78 131.58 34.08 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.836 0.35 . . . . 0.0 110.413 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.7 m -90.6 122.7 42.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.573 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 13.3 p80 -153.47 54.48 0.74 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.36 0.6 . . . . 0.0 111.125 -179.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.2 ttt180 -140.84 49.61 1.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.03 179.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 8.3 ttt 57.01 71.99 1.03 Allowed Pre-proline 0 C--O 1.234 0.259 0 CA-C-N 114.904 -1.044 . . . . 0.0 111.405 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -85.05 161.45 11.65 Favored 'Trans proline' 0 N--CA 1.456 -0.68 0 C-N-CA 122.711 2.274 . . . . 0.0 112.256 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.4 mtpt -102.71 131.53 49.47 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.911 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -156.77 -143.04 3.55 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.586 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -122.29 102.9 12.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.976 0.417 . . . . 0.0 111.239 -179.509 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 15.8 m -92.73 30.14 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.232 0.539 . . . . 0.0 110.598 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 64.3 mt -77.4 -18.04 57.64 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 36.0 t -76.14 117.25 20.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.261 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -111.7 -117.17 3.61 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.006 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.6 40.34 3.4 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.133 0.492 . . . . 0.0 110.314 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.23 -44.01 80.57 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.539 -179.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 72.0 m95 -69.71 -31.02 68.8 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.937 0.399 . . . . 0.0 110.388 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -67.18 -46.43 73.98 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.959 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.6 tt -70.01 -34.38 59.44 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-O 120.907 0.384 . . . . 0.0 110.341 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 42.3 mtt180 -65.42 -46.86 78.3 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.459 179.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.55 -46.68 86.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.317 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -61.88 -44.48 96.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.996 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.5 mp -66.42 -30.28 70.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.711 0.291 . . . . 0.0 111.609 -179.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -79.88 -31.53 40.32 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.093 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -84.33 -37.96 20.95 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.296 -179.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -85.47 -18.69 32.83 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.98 0.419 . . . . 0.0 110.904 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -97.19 -99.47 1.98 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.858 -179.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.2 mtt-85 59.35 43.28 16.83 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 122.795 0.438 . . . . 0.0 111.103 -179.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.79 60.33 1.71 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.212 -179.696 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -120.26 43.51 2.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -86.25 -20.27 28.7 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.7 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -57.68 -36.77 72.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.366 -179.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 14.5 p -66.45 -27.53 40.63 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-O 120.971 0.415 . . . . 0.0 111.162 -179.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.6 mtmt -92.64 -13.51 29.43 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.268 0.556 . . . . 0.0 110.069 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -87.66 -40.65 13.99 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.322 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 23.5 m95 -87.39 121.04 29.3 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.03 179.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 32.5 pt -72.07 141.55 16.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.896 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.94 21.71 6.41 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.719 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 43.6 tttp -120.75 120.18 29.69 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.488 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo . . . . . 0 C--O 1.247 0.971 0 C-N-CA 122.528 2.152 . . . . 0.0 111.704 178.949 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.9 tpp . . . . . 0 N--CA 1.481 1.11 0 CA-C-O 120.567 0.222 . . . . 0.0 110.529 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 86.4 mttt 63.76 22.31 13.02 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.077 0.551 . . . . 0.0 111.855 179.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.4 p -67.97 -25.13 31.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.368 -179.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 28.0 p80 -108.09 18.57 21.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.441 0.639 . . . . 0.0 110.376 179.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.4 mtt180 -123.2 33.3 5.42 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.295 -0.866 . . . . 0.0 108.697 178.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 47.6 mtp 58.44 77.45 0.4 Allowed Pre-proline 0 C--O 1.234 0.238 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.998 -178.165 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -67.3 -37.54 17.68 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.682 2.254 . . . . 0.0 111.505 -179.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 72.8 mttt -138.47 -173.87 3.66 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.206 179.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -74.32 -101.85 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.678 -0.773 . . . . 0.0 111.725 179.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.8 t 53.41 78.08 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-O 121.209 0.528 . . . . 0.0 111.34 179.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 16.0 m -94.6 -22.75 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.629 -179.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.7 mt -88.1 50.46 1.99 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.972 0.415 . . . . 0.0 110.995 -179.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.9 m -83.09 153.1 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.326 -179.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -112.45 176.76 18.06 Favored Glycine 0 N--CA 1.444 -0.775 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 179.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.2 mtmt -62.5 -26.84 68.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.575 0.226 . . . . 0.0 111.488 -179.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.04 -25.7 67.17 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.083 0.468 . . . . 0.0 111.091 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 62.8 t-105 -80.46 -41.27 24.72 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.823 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -71.17 -40.33 71.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.581 -0.736 . . . . 0.0 112.027 -179.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 15.0 tt -61.69 -39.09 82.02 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.123 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.507 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.2 mtp85 -68.85 -37.89 79.41 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.265 179.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.08 -35.91 80.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.66 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 44.3 tptt -74.61 -40.47 61.53 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.227 179.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.9 mp -62.97 -39.45 94.73 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.949 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.0 pttt -78.85 -16.2 57.38 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.473 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -79.35 -47.5 15.69 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.938 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -95.1 -28.0 15.3 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.397 -179.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -106.29 47.88 1.01 Allowed Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.607 -0.806 . . . . 0.0 111.958 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -68.48 -60.26 2.56 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.952 0.406 . . . . 0.0 110.156 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.3 m -160.03 -68.21 0.07 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.77 179.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 43.6 p90 -135.7 141.35 44.91 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 179.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 17.8 mm100 -123.98 -46.15 1.97 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.849 0.356 . . . . 0.0 111.139 -179.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -65.44 -36.74 84.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.709 -178.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 39.8 t -64.05 -32.22 56.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.083 0.468 . . . . 0.0 110.372 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.55 -11.05 49.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.043 -179.533 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -94.08 -34.76 12.86 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.143 0.496 . . . . 0.0 110.428 179.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 15.1 m0 -83.05 -42.13 17.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.377 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 36.4 mm -98.44 128.71 49.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.633 -179.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.0 t 64.08 65.43 0.69 Allowed 'General case' 0 C--O 1.233 0.192 0 CA-C-O 121.459 0.647 . . . . 0.0 110.392 -179.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.0 pttp -117.2 107.19 45.87 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.25 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo . . . . . 0 C--O 1.246 0.894 0 C-N-CA 122.697 2.265 . . . . 0.0 111.811 179.533 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.0 tpt . . . . . 0 N--CA 1.48 1.06 0 CA-C-O 120.645 0.259 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -78.18 64.22 3.28 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.793 0.33 . . . . 0.0 111.427 -179.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -146.68 -60.67 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.18 0.514 . . . . 0.0 110.211 179.518 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -147.99 176.64 10.02 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -77.46 -19.83 55.37 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.012 0.434 . . . . 0.0 110.052 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 24.0 ttt -149.76 81.61 7.0 Favored Pre-proline 0 C--N 1.328 -0.37 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.41 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -79.61 -21.08 8.89 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.677 2.251 . . . . 0.0 112.427 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -134.15 150.52 51.12 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.821 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 178.21 74.3 0.06 OUTLIER Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.348 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 31.3 m -91.8 -16.41 7.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.944 0.402 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.1 t -90.83 70.1 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.273 0.558 . . . . 0.0 110.053 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -96.51 94.99 7.7 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.399 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.8 t -104.56 81.43 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.201 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 114.42 119.72 3.42 Favored Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.398 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.0 mmtp -70.71 -11.58 61.03 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 120.832 0.349 . . . . 0.0 111.115 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.91 -26.94 68.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.198 0.523 . . . . 0.0 109.809 178.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 12.8 m95 -78.44 -36.13 45.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.864 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -66.73 -45.3 79.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.899 -179.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.3 tp -62.53 -35.67 71.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.138 -179.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 40.8 ttt180 -72.7 -41.9 64.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.851 0.358 . . . . 0.0 110.382 179.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.598 ' O ' ' HG3' ' A' ' 24' ' ' LYS . . . -67.56 -39.96 84.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.766 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.4 ttmt -65.92 -38.0 87.54 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.407 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.9 mp -72.06 -25.49 61.8 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.976 -179.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.598 ' HG3' ' O ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -87.93 -19.6 27.06 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.547 -0.461 . . . . 0.0 111.073 179.454 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -89.15 -39.57 13.49 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.879 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -98.65 -23.01 15.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.752 -179.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.4 17.93 54.1 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.452 -0.88 . . . . 0.0 112.471 -179.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.8 ttp-105 -101.28 130.28 47.4 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 179.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.8 t -60.12 127.81 33.69 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.087 0.47 . . . . 0.0 110.931 -179.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 33.5 p90 -127.41 145.5 50.8 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.871 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 19.8 tm0? -132.97 -42.19 0.9 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.201 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -58.99 -53.49 57.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.474 -179.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 35.6 m -71.55 -9.84 13.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.661 0.267 . . . . 0.0 111.506 -179.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -83.42 -44.03 15.21 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 179.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -77.17 -38.07 52.42 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.175 179.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 29.9 t-105 -83.76 90.4 7.32 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.324 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.2 pt -77.16 125.81 37.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.23 0.538 . . . . 0.0 110.976 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 m -109.56 -20.61 12.8 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.119 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.9 pttt -146.26 93.49 5.04 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.543 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo . . . . . 0 C--O 1.247 0.962 0 C-N-CA 122.781 2.32 . . . . 0.0 112.661 -179.347 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mpt? . . . . . 0 N--CA 1.476 0.869 0 CA-C-O 120.861 0.362 . . . . 0.0 110.587 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.9 tptt -108.96 152.83 24.42 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.113 179.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.1 p -119.42 116.05 49.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.301 0.572 . . . . 0.0 110.25 179.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -148.41 -178.02 6.09 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.985 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 26.4 ttt85 63.67 84.68 0.14 Allowed 'General case' 0 N--CA 1.465 0.289 0 O-C-N 123.51 0.506 . . . . 0.0 111.17 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 41.3 ttp 51.87 68.42 3.22 Favored Pre-proline 0 CA--C 1.535 0.388 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.498 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -73.5 -24.78 15.84 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.759 2.306 . . . . 0.0 113.002 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 70.7 tttt -127.43 -46.95 1.45 Allowed 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.981 -0.288 . . . . 0.0 111.444 -179.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.13 -68.9 1.63 Allowed Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 121.067 -0.587 . . . . 0.0 111.843 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.0 t 61.23 59.44 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-O 121.385 0.612 . . . . 0.0 110.784 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.9 p -100.24 -2.55 9.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.36 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.8 tp -80.77 117.44 21.43 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.56 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.418 HG12 ' H ' ' A' ' 14' ' ' GLY . 1.4 t -119.15 172.61 6.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.418 ' H ' HG12 ' A' ' 13' ' ' VAL . . . 125.76 -105.63 0.82 Allowed Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.501 -0.857 . . . . 0.0 112.873 179.366 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.492 ' O ' HG12 ' A' ' 19' ' ' ILE . 25.7 mtpp -66.72 -21.82 66.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.769 0.318 . . . . 0.0 110.891 -179.387 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.23 -25.49 59.2 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.59 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 4.4 t-105 -72.05 -43.93 64.13 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.818 0.342 . . . . 0.0 110.375 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -66.83 -36.31 82.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.497 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.492 HG12 ' O ' ' A' ' 15' ' ' LYS . 47.5 mm -58.3 -42.57 84.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.551 179.727 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.4 ttt-85 -64.45 -41.59 96.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.349 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.43 -46.39 86.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.365 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -63.13 -40.78 98.59 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.681 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.5 mp -63.41 -35.13 79.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.611 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.46 ' O ' ' HB2' ' A' ' 28' ' ' ARG . 18.0 tppt? -74.58 -33.45 62.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.583 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -66.96 -44.7 79.85 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.843 0.354 . . . . 0.0 110.963 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -81.99 -38.22 25.44 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.626 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -99.74 47.57 1.3 Allowed Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.734 -178.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.46 ' HB2' ' O ' ' A' ' 24' ' ' LYS . 26.9 ttt180 -94.14 -76.21 0.49 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 179.186 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 p -147.69 -78.9 0.15 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.314 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -85.38 82.14 8.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.089 0.471 . . . . 0.0 110.741 -179.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.37 -14.27 59.07 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.704 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -62.16 -30.03 70.77 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 -179.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.417 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 6.6 p -75.14 -14.23 15.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.895 0.378 . . . . 0.0 111.351 -179.328 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 45.0 tptt -94.35 -33.52 13.15 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.034 0.445 . . . . 0.0 110.23 179.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -82.58 -34.51 27.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.536 179.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -123.26 95.82 4.75 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.994 -179.661 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.417 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 14.1 tt -139.77 116.42 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.551 0.691 . . . . 0.0 111.993 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.2 p -127.21 29.5 5.56 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.686 179.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.4 73.03 0.67 Allowed Pre-proline 0 N--CA 1.465 0.302 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.121 -179.076 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_endo . . . . . 0 C--O 1.248 1.011 0 C-N-CA 122.85 2.366 . . . . 0.0 111.39 179.054 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.0 mtt . . . . . 0 N--CA 1.483 1.21 0 CA-C-O 120.998 0.427 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -98.36 -41.68 7.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.881 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.7 m -105.87 165.42 3.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -79.07 -50.74 10.58 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.2 ttp180 -172.91 -56.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.486 179.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 53.9 ttm -113.9 105.08 54.83 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.435 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -78.6 -176.43 3.27 Favored 'Trans proline' 0 N--CA 1.46 -0.47 0 C-N-CA 122.747 2.298 . . . . 0.0 112.014 179.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.2 tptt -112.36 83.49 1.81 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.252 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.05 67.51 3.42 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.043 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 18.1 t -90.34 91.62 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.171 0.51 . . . . 0.0 110.42 -179.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.2 t -86.1 -26.26 6.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.967 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.8 mp -66.37 134.61 52.9 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.556 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 38.4 t -73.24 136.05 26.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.487 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 128.04 141.37 5.24 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.744 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -98.13 8.02 45.41 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.482 0.182 . . . . 0.0 111.001 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.4 -45.62 93.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.966 0.412 . . . . 0.0 110.489 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 48.4 t-105 -66.13 -35.7 81.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.95 179.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -63.95 -49.9 70.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.051 179.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.2 mt -61.39 -40.03 84.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.833 179.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 20' ' ' ARG . 0.8 OUTLIER -59.98 -50.9 71.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.393 179.407 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.472 ' O ' ' HG2' ' A' ' 25' ' ' GLU . . . -63.96 -41.61 97.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.604 -179.63 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -60.51 -43.97 96.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.735 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.8 mp -74.19 -27.27 60.72 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.471 -178.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.415 ' HA ' ' HD3' ' A' ' 24' ' ' LYS . 30.7 mmtp -78.52 -21.11 49.33 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 121.012 -0.275 . . . . 0.0 111.552 -179.652 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 21' ' ' ALA . 10.1 pt-20 -95.62 -19.39 19.79 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.267 178.278 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -92.28 -41.93 10.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.274 179.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -139.3 86.78 0.21 Allowed Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 111.459 -0.656 . . . . 0.0 111.459 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 -85.47 74.74 10.29 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.962 0.411 . . . . 0.0 111.38 -178.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 89.5 m -88.85 81.11 7.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.334 0.587 . . . . 0.0 110.081 178.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 58.59 -158.12 0.3 Allowed 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.426 179.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -168.62 -62.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.4 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -63.62 -32.89 74.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.035 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 10.9 t -75.39 -30.71 22.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.994 0.425 . . . . 0.0 110.515 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 26.3 tttm -71.17 -41.2 70.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.944 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -81.32 -30.23 33.94 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.657 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER 59.78 58.45 2.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.285 -179.644 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.6 tp -69.52 -32.97 54.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.21 -179.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.7 m 58.13 73.02 0.49 Allowed 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.713 -179.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.8 tttm -80.49 114.66 49.34 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.229 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo . . . . . 0 C--O 1.247 0.938 0 C-N-CA 122.718 2.279 . . . . 0.0 112.078 -179.582 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.0 ttm . . . . . 0 N--CA 1.48 1.032 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 62.1 mmtt -134.92 -70.25 0.5 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.462 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.3 p -80.62 135.45 25.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.248 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 16.1 m80 -70.05 -46.63 64.59 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 121.065 -0.254 . . . . 0.0 110.774 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.415 ' O ' ' HD3' ' A' ' 7' ' ' PRO . 7.4 tpt180 -160.05 -57.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.689 0.281 . . . . 0.0 111.498 179.514 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.488 ' O ' ' HG2' ' A' ' 6' ' ' MET . 0.0 OUTLIER -96.65 108.22 41.36 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-O 121.148 0.499 . . . . 0.0 111.46 -178.867 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.415 ' HD3' ' O ' ' A' ' 5' ' ' ARG . 10.5 Cg_endo -90.83 24.33 0.59 Allowed 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 123.174 2.583 . . . . 0.0 111.472 178.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.1 pttt -96.0 139.82 31.64 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.759 -179.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 178.2 140.08 3.7 Favored Glycine 0 N--CA 1.443 -0.864 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 179.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.0 t -113.52 102.65 14.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 120.817 0.342 . . . . 0.0 110.288 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.9 p -128.12 105.18 13.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.269 0.557 . . . . 0.0 110.215 179.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.1 pp -97.78 -7.11 31.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.745 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.4 t -81.92 112.51 19.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.4 -179.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.87 -82.06 1.65 Allowed Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.994 178.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.8 mtmt 61.87 29.15 17.8 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.957 0.408 . . . . 0.0 110.624 -178.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.574 ' O ' ' HB2' ' A' ' 20' ' ' ARG . . . -59.87 -37.13 78.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.253 -179.437 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -68.79 -41.27 78.95 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.996 0.427 . . . . 0.0 110.569 179.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -67.4 -46.87 71.98 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.343 -179.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.523 ' O ' ' HB2' ' A' ' 23' ' ' LEU . 10.9 tp -69.69 -28.71 38.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.819 0.342 . . . . 0.0 110.861 -178.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.574 ' HB2' ' O ' ' A' ' 16' ' ' ALA . 0.1 OUTLIER -75.15 -40.11 59.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.818 0.342 . . . . 0.0 110.282 179.756 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.38 -45.9 68.22 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.79 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.6 tptm -66.41 -34.43 77.93 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.336 -179.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.523 ' HB2' ' O ' ' A' ' 19' ' ' ILE . 1.0 OUTLIER -69.58 -43.5 72.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.281 -179.611 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.9 pttt -77.98 -11.27 59.89 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.726 -179.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.69 -42.98 27.04 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.791 179.176 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -96.44 -31.59 12.75 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.164 -179.669 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -113.56 51.5 0.7 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.542 -0.837 . . . . 0.0 112.208 -179.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -66.29 -56.43 11.26 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.84 0.353 . . . . 0.0 110.875 -179.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.0 t -112.62 -4.17 14.18 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.542 -179.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -65.4 -24.0 67.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.896 0.379 . . . . 0.0 111.434 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -62.03 -33.05 73.64 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.908 179.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -74.03 -43.16 58.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.495 -179.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.5 p -71.78 -19.36 20.15 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 CA-C-O 121.372 0.606 . . . . 0.0 110.977 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -87.53 -32.86 19.17 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.282 179.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -79.67 -36.84 37.08 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.941 -179.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -73.61 126.98 31.51 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 120.989 0.423 . . . . 0.0 110.568 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.7 tt -126.1 143.18 40.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -179.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.4 m -142.37 -46.39 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.612 179.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -138.08 88.64 15.24 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.687 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo . . . . . 0 C--O 1.249 1.07 0 C-N-CA 122.744 2.296 . . . . 0.0 111.954 179.473 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 ttt . . . . . 0 N--CA 1.485 1.284 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 92.3 mttt 61.52 42.26 11.54 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.488 0.661 . . . . 0.0 110.719 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 30.5 m -86.79 -175.0 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.847 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 49.2 p-80 -66.18 160.5 24.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.8 179.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -59.28 123.23 16.05 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.653 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 65.0 mtt 64.97 76.61 0.31 Allowed Pre-proline 0 N--CA 1.467 0.39 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.471 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -66.16 -44.67 6.76 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.325 2.017 . . . . 0.0 111.586 178.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -153.89 -176.47 5.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.592 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 105.83 10.42 30.57 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.501 -0.857 . . . . 0.0 112.188 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.2 t -82.5 103.25 9.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.855 0.36 . . . . 0.0 110.059 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.1 m -118.11 -3.37 10.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.698 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -81.96 62.15 5.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.158 0.504 . . . . 0.0 110.765 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 44.6 t -125.14 104.97 14.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.96 179.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 92.72 84.03 1.53 Allowed Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.121 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -63.03 -32.98 74.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.905 0.383 . . . . 0.0 110.541 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.98 -32.14 70.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.343 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 81.0 m95 -74.71 -37.31 62.63 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.824 0.345 . . . . 0.0 110.529 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -68.42 -48.95 63.27 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.968 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.2 tt -67.48 -29.7 46.43 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 -178.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -75.17 -40.3 59.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.765 0.317 . . . . 0.0 110.413 179.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.87 -47.4 78.01 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.82 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -67.03 -35.95 81.01 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.569 -178.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.6 mp -73.24 -33.07 65.1 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.816 0.341 . . . . 0.0 110.593 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.491 ' O ' ' HG3' ' A' ' 28' ' ' ARG . 20.4 ttmt -71.84 -40.43 69.07 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.56 179.634 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.463 ' CD ' ' HZ2' ' A' ' 34' ' ' LYS . 2.6 tm-20 -66.18 -46.6 76.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.974 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -72.02 -24.3 61.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.226 0.536 . . . . 0.0 110.843 -179.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.35 15.83 62.04 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 121.02 -0.609 . . . . 0.0 112.425 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.491 ' HG3' ' O ' ' A' ' 24' ' ' LYS . 60.4 mtp180 -73.66 -74.37 0.18 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.888 0.375 . . . . 0.0 110.6 179.693 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -163.41 93.35 0.76 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.167 0.508 . . . . 0.0 110.927 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 62.17 -172.47 0.15 Allowed 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.586 -0.733 . . . . 0.0 111.355 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -90.18 0.22 57.29 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.098 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.483 ' O ' ' HB2' ' A' ' 36' ' ' TRP . 43.3 m-85 -61.31 -28.01 68.9 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.133 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.7 t -69.93 -47.74 67.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.074 0.464 . . . . 0.0 110.451 179.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.463 ' HZ2' ' CD ' ' A' ' 25' ' ' GLU . 2.7 tppm? -69.37 -30.1 68.02 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.664 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -76.09 -35.22 59.46 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.089 0.471 . . . . 0.0 110.559 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.483 ' HB2' ' O ' ' A' ' 32' ' ' TYR . 1.3 t-105 -64.66 -48.16 75.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.948 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 31.4 pt -90.94 174.21 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.795 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.0 m -117.35 80.57 1.51 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.238 0.542 . . . . 0.0 110.242 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.411 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 47.5 tptt -125.94 112.54 24.47 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.755 -179.426 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 39' ' ' LYS . 6.2 Cg_exo . . . . . 0 C--O 1.252 1.224 0 C-N-CA 122.774 2.316 . . . . 0.0 111.765 178.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.8 ttp . . . . . 0 N--CA 1.483 1.179 0 CA-C-O 120.83 0.347 . . . . 0.0 110.402 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 13.4 mttp -120.72 109.1 14.78 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.875 0.369 . . . . 0.0 110.531 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.7 p -85.53 -20.45 8.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.283 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 4.0 m170 61.87 -166.23 0.22 Allowed 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.37 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -91.77 -33.34 15.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.035 0.445 . . . . 0.0 109.88 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 2.9 ttm -126.9 85.42 61.0 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.072 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -78.11 5.3 5.48 Favored 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 122.634 2.223 . . . . 0.0 112.679 -179.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.16 17.5 21.06 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.062 0.458 . . . . 0.0 110.519 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -76.63 46.21 2.26 Favored Glycine 0 CA--C 1.52 0.357 0 CA-C-N 116.002 -0.544 . . . . 0.0 112.911 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.2 m -126.96 11.8 3.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.463 0.649 . . . . 0.0 110.037 179.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.6 p -96.52 -6.03 9.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.494 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.1 mp -81.6 73.16 8.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.615 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.6 m -116.18 150.76 18.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.373 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.92 -36.93 2.5 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 121.062 -0.59 . . . . 0.0 112.689 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -87.48 27.93 1.04 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.845 0.355 . . . . 0.0 111.345 -179.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.463 ' O ' HG23 ' A' ' 19' ' ' ILE . . . -61.65 -32.59 72.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.282 0.563 . . . . 0.0 110.528 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 74.0 m95 -67.56 -36.0 80.11 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.587 179.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -77.54 -41.32 39.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.996 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.463 HG23 ' O ' ' A' ' 16' ' ' ALA . 12.5 tt -62.63 -35.77 71.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.106 -178.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.49 -27.23 56.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.991 0.424 . . . . 0.0 110.631 179.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.33 -45.23 26.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.033 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -71.12 -29.21 64.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.411 -179.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.4 mp -75.24 -37.2 61.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.704 -0.225 . . . . 0.0 110.844 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.7 mttt -72.92 -26.01 61.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.916 0.389 . . . . 0.0 110.445 179.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -78.47 -27.57 46.34 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.742 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -94.31 -37.85 11.29 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.952 -179.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -118.57 64.27 0.41 Allowed Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.334 -178.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.2 ptt180 -72.34 -22.95 61.09 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.831 0.348 . . . . 0.0 111.286 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.88 11.13 20.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.682 -179.193 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -80.44 52.19 1.58 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.262 0.553 . . . . 0.0 111.206 -179.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -117.5 -5.63 11.21 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.076 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -57.97 -51.42 69.72 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -178.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 57.6 t -62.42 -40.17 87.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.01 0.433 . . . . 0.0 110.948 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 21.2 mmmt -68.54 -34.3 75.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.399 -179.083 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -76.72 -35.05 58.07 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.009 -179.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 8.9 m0 -57.93 -47.44 82.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.637 179.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 18.7 pt -112.02 49.52 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.241 0.544 . . . . 0.0 110.861 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.9 p -72.74 -68.49 0.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.575 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 79.0 tttt 57.44 94.22 0.05 OUTLIER Pre-proline 0 CA--C 1.532 0.28 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.435 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo . . . . . 0 C--O 1.251 1.167 0 C-N-CA 122.183 1.922 . . . . 0.0 111.94 179.628 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.759 0.314 . . . . 0.0 111.806 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.483 ' O ' ' HG2' ' A' ' 20' ' ' ARG . 31.7 t-105 -80.91 -29.32 35.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.91 0.386 . . . . 0.0 110.761 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -81.81 -42.39 19.75 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.57 -179.136 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.2 tt -63.5 -30.9 51.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.274 -178.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.483 ' HG2' ' O ' ' A' ' 17' ' ' TRP . 5.5 ptm180 -74.44 -27.86 60.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.818 0.342 . . . . 0.0 110.858 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.02 -45.96 19.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.186 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.2 tptm -63.38 -41.5 98.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.953 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.3 mp -71.97 -19.28 61.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.111 -179.36 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -83.24 -40.44 19.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.96 0.409 . . . . 0.0 110.622 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -70.19 -35.19 73.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.213 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 6.8 t80 . . . . . 0 C--N 1.328 -0.343 0 CA-C-O 120.778 0.323 . . . . 0.0 110.59 179.875 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.769 0.319 . . . . 0.0 111.273 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 60.3 t-105 -64.15 -42.33 96.82 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.96 179.599 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -71.39 -39.55 71.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.907 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 87.5 mt -60.91 -46.99 95.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.831 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -61.47 -39.94 92.71 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.796 0.331 . . . . 0.0 111.248 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.63 -45.57 71.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.4 ttpt -65.21 -40.24 93.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.217 -179.528 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.7 mp -66.34 -27.88 68.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.044 0.45 . . . . 0.0 110.81 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -76.47 -46.1 28.34 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.841 179.209 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -67.03 -43.64 82.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.039 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 6.5 t80 . . . . . 0 C--N 1.327 -0.403 0 CA-C-O 120.907 0.384 . . . . 0.0 111.1 -179.129 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.197 0 CA-C-O 120.905 0.384 . . . . 0.0 111.503 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 67.3 t90 -64.72 -44.92 88.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.307 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -60.58 -41.84 95.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.751 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.2 mt -61.79 -48.29 89.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.382 179.437 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.1 mtp-105 -59.94 -46.04 90.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.119 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.46 -45.21 91.9 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.651 -179.571 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.504 ' O ' ' HB2' ' A' ' 26' ' ' TYR . 50.3 tttm -67.49 -39.84 85.22 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.964 -179.195 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.8 mp -65.23 -37.8 88.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.217 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.1 ttpp -66.98 -42.02 85.79 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.348 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.51 -25.34 45.58 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.736 -0.386 . . . . 0.0 111.096 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.504 ' HB2' ' O ' ' A' ' 22' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 178.685 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.199 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.2 m-90 -67.64 -32.38 73.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.896 0.379 . . . . 0.0 110.358 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.421 ' OE1' ' HA ' ' A' ' 18' ' ' GLU . 32.3 tp10 -72.12 -37.72 69.43 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.813 179.321 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 37.3 mm -65.89 -42.79 92.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.705 178.692 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -44.09 97.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.187 179.392 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.45 -39.43 92.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.888 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 46.9 tptt -68.28 -43.62 77.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.145 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.4 mp -64.07 -33.82 76.62 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.074 0.464 . . . . 0.0 110.45 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -78.34 -20.01 52.25 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.153 0.501 . . . . 0.0 110.082 178.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -83.53 -43.72 15.43 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.514 179.406 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 38.4 t80 . . . . . 0 C--N 1.324 -0.505 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -178.841 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.649 0.261 . . . . 0.0 111.278 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -73.48 -37.45 65.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.591 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -64.25 -38.09 89.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.952 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 76.0 mt -62.19 -45.97 97.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.18 179.145 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -60.6 -42.33 96.53 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.158 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.24 -44.01 96.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.147 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -65.72 -44.57 85.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.957 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.2 mp -65.35 -34.3 78.01 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.926 -179.241 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -74.36 -38.1 63.29 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.776 0.322 . . . . 0.0 110.854 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -74.37 -40.7 61.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.311 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 61.1 t80 . . . . . 0 C--N 1.326 -0.416 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.33 -179.648 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.523 ' HA ' HG22 ' A' ' 19' ' ' ILE . . . . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.771 0.32 . . . . 0.0 111.432 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 88.5 m95 -66.41 -48.72 69.16 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.964 0.411 . . . . 0.0 110.581 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.97 -39.95 68.95 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.999 -178.514 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.523 HG22 ' HA ' ' A' ' 16' ' ' ALA . 14.6 tt -64.87 -38.17 82.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.467 -178.612 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -72.26 -38.23 68.92 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.045 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.93 -40.39 83.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.978 0.418 . . . . 0.0 110.422 179.213 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.5 ttpt -67.56 -46.0 73.97 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.459 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.0 mp -63.46 -37.83 88.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.666 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -72.94 -20.81 60.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.758 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.94 -38.92 31.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.788 0.328 . . . . 0.0 110.594 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 . . . . . 0 C--N 1.325 -0.488 0 CA-C-O 120.868 0.366 . . . . 0.0 111.115 179.992 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.207 0 CA-C-O 120.446 0.165 . . . . 0.0 111.331 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 39.5 t-105 -68.82 -44.46 73.46 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.029 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -68.46 -33.13 73.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.924 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.3 mm -63.13 -39.98 87.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.506 178.684 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.3 ttt180 -62.93 -41.6 99.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.953 179.171 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.2 -46.17 78.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.831 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -60.66 -40.36 91.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.035 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.8 mp -65.46 -34.13 77.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.356 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.3 mmtp -79.46 -27.95 41.58 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.938 0.399 . . . . 0.0 111.425 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -80.31 -38.33 30.89 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.024 -179.425 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.0 t80 . . . . . 0 C--N 1.325 -0.458 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.69 -179.437 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.035 0 CA-C-O 121.123 0.487 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 21.9 m-90 -72.53 -24.43 61.14 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.451 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -74.9 -48.72 23.26 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.12 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.468 ' O ' ' HB2' ' A' ' 23' ' ' LEU . 8.0 tp -66.15 -31.47 53.8 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.984 -179.619 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -67.48 -42.68 82.55 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-O 121.034 0.445 . . . . 0.0 110.276 178.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.59 -43.08 73.51 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.56 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -64.59 -41.86 95.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.181 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.468 ' HB2' ' O ' ' A' ' 19' ' ' ILE . 1.0 OUTLIER -67.71 -32.99 74.01 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.158 -179.309 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -69.73 -37.74 76.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.869 0.366 . . . . 0.0 111.186 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -74.06 -33.75 63.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.22 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 33.7 t80 . . . . . 0 C--N 1.323 -0.548 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.73 179.964 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 120.853 0.358 . . . . 0.0 111.371 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 7.7 t90 -82.32 -34.16 28.68 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.035 0.445 . . . . 0.0 109.98 179.246 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -69.64 -44.9 69.66 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.734 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.1 tp -65.08 -34.26 69.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.024 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.44 ' HG3' ' N ' ' A' ' 21' ' ' ALA . 0.5 OUTLIER -71.21 -32.0 68.28 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 121.053 -0.259 . . . . 0.0 110.511 179.894 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.44 ' N ' ' HG3' ' A' ' 20' ' ' ARG . . . -70.95 -42.0 70.37 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.096 0.474 . . . . 0.0 110.276 179.559 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 50.3 tttp -69.16 -30.47 68.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.233 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.0 mp -82.71 -19.2 38.48 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.867 179.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.2 ttmt -84.14 -29.92 26.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.759 0.314 . . . . 0.0 111.027 -179.505 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 21' ' ' ALA . 6.3 pt-20 -79.86 -41.7 25.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.864 0.364 . . . . 0.0 110.572 179.472 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 54.5 t80 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.824 179.869 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.115 0 CA-C-O 120.711 0.291 . . . . 0.0 111.398 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 65.4 t90 -66.46 -40.01 89.16 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.994 0.426 . . . . 0.0 110.065 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -64.34 -44.25 92.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.965 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.2 tp -72.31 -32.45 42.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.158 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -64.92 -44.04 90.82 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.105 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.53 -33.88 76.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.646 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -70.16 -45.97 65.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.478 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.1 mp -65.4 -31.57 72.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.943 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.8 ttpt -81.74 -15.1 55.44 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.234 0.54 . . . . 0.0 110.425 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -90.45 -42.78 10.68 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.109 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 55.1 t80 . . . . . 0 C--N 1.324 -0.503 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.317 -179.357 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.142 0 CA-C-O 120.803 0.335 . . . . 0.0 111.448 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 55.8 m95 -69.58 -45.98 67.4 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.443 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -64.4 -44.83 90.07 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.833 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.1 tt -66.74 -34.85 72.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.958 -179.122 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -73.25 -34.4 65.82 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.989 -0.285 . . . . 0.0 110.345 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.07 -42.19 85.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.146 0.498 . . . . 0.0 109.673 178.592 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -64.84 -42.72 94.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.146 179.056 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 mp -62.19 -36.82 83.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.492 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.7 ttpt -69.67 -34.49 74.04 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.718 179.511 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -75.66 -41.01 55.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.842 0.353 . . . . 0.0 110.773 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 43.2 t80 . . . . . 0 C--N 1.325 -0.473 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.745 -178.971 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.505 0.193 . . . . 0.0 111.395 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -62.87 -43.56 98.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.863 0.364 . . . . 0.0 110.076 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -61.63 -42.3 98.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.341 179.721 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.61 -46.51 96.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.723 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 59.3 mtt-85 -62.39 -41.25 98.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.043 -179.587 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.11 -36.35 81.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.105 0.479 . . . . 0.0 111.058 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -73.55 -42.81 61.19 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.627 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.1 mp -63.52 -41.24 98.51 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.077 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -70.27 -22.96 62.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.081 0.467 . . . . 0.0 110.749 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -80.67 -46.52 15.45 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.28 179.48 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.0 t80 . . . . . 0 C--N 1.325 -0.473 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.608 -178.791 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.164 0 CA-C-O 120.788 0.328 . . . . 0.0 111.539 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 72.0 m95 -69.71 -31.02 68.8 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.937 0.399 . . . . 0.0 110.388 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -67.18 -46.43 73.98 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.959 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.6 tt -70.01 -34.38 59.44 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-O 120.907 0.384 . . . . 0.0 110.341 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 42.3 mtt180 -65.42 -46.86 78.3 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.459 179.219 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.55 -46.68 86.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.317 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -61.88 -44.48 96.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.996 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.5 mp -66.42 -30.28 70.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.711 0.291 . . . . 0.0 111.609 -179.35 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -79.88 -31.53 40.32 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.093 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -84.33 -37.96 20.95 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.296 -179.188 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 80.7 t80 . . . . . 0 C--N 1.323 -0.55 0 CA-C-O 120.98 0.419 . . . . 0.0 110.904 -179.736 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.224 0 CA-C-O 121.083 0.468 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 62.8 t-105 -80.46 -41.27 24.72 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.823 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -71.17 -40.33 71.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.581 -0.736 . . . . 0.0 112.027 -179.028 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 15.0 tt -61.69 -39.09 82.02 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.123 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.507 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.2 mtp85 -68.85 -37.89 79.41 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.265 179.611 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.08 -35.91 80.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.66 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 44.3 tptt -74.61 -40.47 61.53 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.227 179.331 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.9 mp -62.97 -39.45 94.73 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.949 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.0 pttt -78.85 -16.2 57.38 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.473 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -79.35 -47.5 15.69 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.938 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 12.6 t80 . . . . . 0 C--N 1.329 -0.307 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.397 -179.34 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.159 0 CA-C-O 121.198 0.523 . . . . 0.0 109.809 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 12.8 m95 -78.44 -36.13 45.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.864 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -66.73 -45.3 79.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.899 -179.312 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.3 tp -62.53 -35.67 71.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.138 -179.391 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 40.8 ttt180 -72.7 -41.9 64.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.851 0.358 . . . . 0.0 110.382 179.59 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.609 ' O ' ' HG3' ' A' ' 24' ' ' LYS . . . -67.56 -39.96 84.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.766 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.4 ttmt -65.92 -38.0 87.54 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.407 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.9 mp -72.06 -25.49 61.8 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.976 -179.196 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.609 ' HG3' ' O ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -87.93 -19.6 27.06 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.547 -0.461 . . . . 0.0 111.073 179.454 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -89.15 -39.57 13.49 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.879 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 22.3 t80 . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.752 -179.471 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.68 0.276 . . . . 0.0 111.59 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 4.4 t-105 -72.05 -43.93 64.13 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.818 0.342 . . . . 0.0 110.375 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -66.83 -36.31 82.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.497 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 47.5 mm -58.3 -42.57 84.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.551 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.4 ttt-85 -64.45 -41.59 96.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.349 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.43 -46.39 86.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.365 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -63.13 -40.78 98.59 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.681 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.5 mp -63.41 -35.13 79.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.611 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.0 tppt? -74.58 -33.45 62.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.583 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -66.96 -44.7 79.85 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.843 0.354 . . . . 0.0 110.963 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 18.7 t80 . . . . . 0 C--N 1.325 -0.479 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.626 -179.612 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.966 0.412 . . . . 0.0 110.489 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 48.4 t-105 -66.13 -35.7 81.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.95 179.21 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -63.95 -49.9 70.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.051 179.577 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.2 mt -61.39 -40.03 84.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.833 179.239 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 20' ' ' ARG . 0.8 OUTLIER -59.98 -50.9 71.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.393 179.407 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.473 ' O ' ' HG2' ' A' ' 25' ' ' GLU . . . -63.96 -41.61 97.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.604 -179.63 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -60.51 -43.97 96.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.735 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.8 mp -74.19 -27.27 60.72 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.471 -178.542 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.433 ' HA ' ' HD3' ' A' ' 24' ' ' LYS . 30.7 mmtp -78.52 -21.11 49.33 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 121.012 -0.275 . . . . 0.0 111.552 -179.652 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' A' ' 21' ' ' ALA . 10.1 pt-20 -95.62 -19.39 19.79 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.267 178.278 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.5 t80 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.274 179.327 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.586 ' O ' ' HB2' ' A' ' 20' ' ' ARG . . . . . . . . 0 CA--C 1.518 -0.265 0 CA-C-O 120.625 0.25 . . . . 0.0 111.253 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -68.79 -41.27 78.95 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.996 0.427 . . . . 0.0 110.569 179.608 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -67.4 -46.87 71.98 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.343 -179.02 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.532 ' O ' ' HB2' ' A' ' 23' ' ' LEU . 10.9 tp -69.69 -28.71 38.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.819 0.342 . . . . 0.0 110.861 -178.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.586 ' HB2' ' O ' ' A' ' 16' ' ' ALA . 0.1 OUTLIER -75.15 -40.11 59.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.818 0.342 . . . . 0.0 110.282 179.756 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.38 -45.9 68.22 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.79 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.406 ' HD2' ' HA ' ' A' ' 22' ' ' LYS . 19.6 tptm -66.41 -34.43 77.93 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.336 -179.142 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.532 ' HB2' ' O ' ' A' ' 19' ' ' ILE . 1.0 OUTLIER -69.58 -43.5 72.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.281 -179.611 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.9 pttt -77.98 -11.27 59.89 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.726 -179.578 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.69 -42.98 27.04 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.791 179.176 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.164 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 120.606 0.241 . . . . 0.0 111.343 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 81.0 m95 -74.71 -37.31 62.63 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.824 0.345 . . . . 0.0 110.529 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -68.42 -48.95 63.27 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.968 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.2 tt -67.48 -29.7 46.43 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 -178.762 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -75.17 -40.3 59.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.765 0.317 . . . . 0.0 110.413 179.201 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.87 -47.4 78.01 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.82 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -67.03 -35.95 81.01 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.569 -178.722 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.6 mp -73.24 -33.07 65.1 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.816 0.341 . . . . 0.0 110.593 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.4 ttmt -71.84 -40.43 69.07 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.56 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -66.18 -46.6 76.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.974 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 25.4 t80 . . . . . 0 C--N 1.327 -0.386 0 CA-C-O 121.226 0.536 . . . . 0.0 110.843 -179.594 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.442 ' O ' HG22 ' A' ' 19' ' ' ILE . . . . . . . . 0 CA--C 1.522 -0.112 0 CA-C-O 121.282 0.563 . . . . 0.0 110.528 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 74.0 m95 -67.56 -36.0 80.11 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.587 179.39 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -77.54 -41.32 39.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.996 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.442 HG22 ' O ' ' A' ' 16' ' ' ALA . 12.5 tt -62.63 -35.77 71.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.106 -178.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.49 -27.23 56.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.991 0.424 . . . . 0.0 110.631 179.789 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.33 -45.23 26.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.033 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -71.12 -29.21 64.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.411 -179.339 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.4 mp -75.24 -37.2 61.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.704 -0.225 . . . . 0.0 110.844 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.7 mttt -72.92 -26.01 61.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.916 0.389 . . . . 0.0 110.445 179.473 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -78.47 -27.57 46.34 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.742 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 12.5 t80 . . . . . 0 C--N 1.325 -0.467 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.952 -179.468 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.2 mmt . . . . . 0 N--CA 1.481 1.098 0 CA-C-O 120.854 0.359 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -88.77 -25.41 22.28 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.21 0.529 . . . . 0.0 110.048 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.1 p -132.2 164.32 35.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.261 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -88.89 153.77 20.78 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 179.276 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 70.4 mtm-85 -58.43 -42.64 87.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.021 0.439 . . . . 0.0 110.203 179.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.505 ' O ' ' HG2' ' A' ' 6' ' ' MET . 0.0 OUTLIER -128.2 87.28 55.82 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.468 0.651 . . . . 0.0 109.691 178.535 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_endo -85.4 169.03 9.87 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 C-N-CA 123.029 2.486 . . . . 0.0 112.087 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.4 ttmt -111.03 -150.19 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 111.84 -95.6 0.82 Allowed Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.436 -0.887 . . . . 0.0 111.2 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 31.5 t -101.44 97.2 5.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.5 p -135.86 149.9 28.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.79 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 76.7 mt -115.67 112.49 22.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.217 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.1 m -96.16 107.11 19.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.166 0.508 . . . . 0.0 110.971 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -156.33 -147.33 4.72 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.339 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.1 tptp -92.19 -0.03 57.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.586 0.232 . . . . 0.0 111.358 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.34 -28.35 68.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.806 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.483 ' O ' ' HG2' ' A' ' 20' ' ' ARG . 31.7 t-105 -80.91 -29.32 35.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.91 0.386 . . . . 0.0 110.761 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -81.81 -42.39 19.75 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.57 -179.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.2 tt -63.5 -30.9 51.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.274 -178.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.483 ' HG2' ' O ' ' A' ' 17' ' ' TRP . 5.5 ptm180 -74.44 -27.86 60.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.818 0.342 . . . . 0.0 110.858 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.02 -45.96 19.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.186 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.2 tptm -63.38 -41.5 98.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.953 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.3 mp -71.97 -19.28 61.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.111 -179.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -83.24 -40.44 19.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.96 0.409 . . . . 0.0 110.622 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -70.19 -35.19 73.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.213 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -86.13 -35.05 20.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.778 0.323 . . . . 0.0 110.59 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -84.5 47.53 3.87 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 121.249 -0.5 . . . . 0.0 112.663 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.1 ttm180 -107.53 104.43 13.98 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.74 111.72 3.85 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.012 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -94.57 72.48 3.7 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.28 0.562 . . . . 0.0 110.987 -178.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -99.76 -4.72 30.0 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.028 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -56.57 -41.88 77.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.664 -179.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.4 t -67.48 -42.19 86.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.149 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -64.86 -38.29 90.49 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.058 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -80.42 -8.89 59.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.064 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.53 -36.59 15.27 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.398 -179.398 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.0 tt -79.55 105.21 8.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.4 0.619 . . . . 0.0 111.069 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 m -97.6 101.61 13.17 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.373 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.7 tptm -130.95 101.25 16.76 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.806 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo . . . . . 0 C--O 1.247 0.949 0 C-N-CA 122.617 2.211 . . . . 0.0 111.939 179.596 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.6 mtm . . . . . 0 N--CA 1.483 1.198 0 CA-C-O 120.88 0.371 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -86.58 -54.14 4.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.769 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.9 m -84.26 139.94 16.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.394 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 13.1 p80 -165.02 151.7 10.53 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.301 -179.286 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.0 ttt180 66.3 74.38 0.35 Allowed 'General case' 0 C--N 1.333 -0.136 0 O-C-N 123.7 0.625 . . . . 0.0 110.585 179.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 49.1 mtt 62.82 83.12 0.21 Allowed Pre-proline 0 N--CA 1.465 0.3 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.781 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -68.64 -170.66 0.33 Allowed 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 122.846 2.364 . . . . 0.0 112.215 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.8 ptmm? -132.58 89.97 2.72 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.156 0.503 . . . . 0.0 110.825 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.77 109.71 1.98 Allowed Glycine 0 N--CA 1.448 -0.555 0 N-CA-C 111.327 -0.709 . . . . 0.0 111.327 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.4 t 51.76 56.78 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-O 121.556 0.693 . . . . 0.0 110.445 -179.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 22.1 m -116.1 13.75 7.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.368 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.8 mp -87.15 53.69 2.91 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.006 0.432 . . . . 0.0 110.296 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.4 t -117.62 -70.47 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.586 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -155.79 63.88 0.33 Allowed Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 121.136 -0.555 . . . . 0.0 112.02 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.1 tttm -69.53 -29.01 66.52 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.728 0.299 . . . . 0.0 110.891 -179.523 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.92 -31.43 68.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.273 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 60.3 t-105 -64.15 -42.33 96.82 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.96 179.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -71.39 -39.55 71.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.907 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 87.5 mt -60.91 -46.99 95.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.831 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -61.47 -39.94 92.71 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.796 0.331 . . . . 0.0 111.248 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.63 -45.57 71.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.4 ttpt -65.21 -40.24 93.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.217 -179.528 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.7 mp -66.34 -27.88 68.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.044 0.45 . . . . 0.0 110.81 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.538 ' HE3' ' OH ' ' A' ' 32' ' ' TYR . 37.8 ttpt -76.47 -46.1 28.34 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.841 179.209 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -67.03 -43.64 82.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.039 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -83.26 -2.96 56.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.907 0.384 . . . . 0.0 111.1 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -104.58 -46.13 1.34 Allowed Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.482 -0.866 . . . . 0.0 112.139 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.7 mmm-85 -87.26 64.27 8.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 122.588 -0.36 . . . . 0.0 110.491 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -58.5 -75.24 0.05 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.178 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 53.4 p90 -94.89 -6.74 41.97 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.363 0.601 . . . . 0.0 110.016 179.165 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 61.1 tp60 -71.62 -25.68 62.26 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.64 -178.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.538 ' OH ' ' HE3' ' A' ' 24' ' ' LYS . 0.5 OUTLIER -61.13 -44.77 96.81 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 121.087 -0.245 . . . . 0.0 111.359 -179.457 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 20.9 m -74.57 -10.4 13.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.89 0.376 . . . . 0.0 111.191 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 37.5 tttm -91.79 -31.92 15.57 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.415 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -89.87 -32.96 16.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.066 0.46 . . . . 0.0 110.604 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -85.67 91.27 8.24 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.939 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.3 pt -133.31 21.42 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.212 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -104.38 106.81 17.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.589 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 46.2 tttp -112.48 128.31 25.71 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.568 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo . . . . . 0 C--O 1.254 1.323 0 C-N-CA 122.466 2.111 . . . . 0.0 112.84 -179.794 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.2 ttp . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 52.4 mttm -125.35 172.57 9.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.743 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.9 p -67.18 124.49 22.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.242 0.544 . . . . 0.0 110.252 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 -148.73 -26.37 0.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.406 -179.185 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.523 ' HA ' ' NE ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -68.07 -53.29 26.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.843 0.354 . . . . 0.0 110.673 -179.695 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 8.1 ptp -149.14 89.76 4.82 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.304 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -73.96 -27.81 11.77 Favored 'Trans proline' 0 CA--C 1.528 0.177 0 C-N-CA 122.72 2.28 . . . . 0.0 112.208 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -143.53 174.57 10.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.162 179.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -148.51 123.36 1.65 Allowed Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.978 -0.629 . . . . 0.0 111.741 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.7 t -94.57 101.27 12.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.3 m -122.6 148.05 26.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.954 0.407 . . . . 0.0 110.946 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.8 tp -82.82 75.31 9.73 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.313 0.578 . . . . 0.0 110.145 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.3 m -111.17 25.78 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.452 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 130.16 -150.49 19.15 Favored Glycine 0 N--CA 1.444 -0.792 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.793 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -90.29 33.56 0.89 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.732 0.301 . . . . 0.0 111.044 -179.254 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.95 -42.17 72.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.503 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 67.3 t90 -64.72 -44.92 88.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.307 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -60.58 -41.84 95.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.751 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.2 mt -61.79 -48.29 89.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.382 179.437 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.1 mtp-105 -59.94 -46.04 90.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.119 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.46 -45.21 91.9 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.651 -179.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.504 ' O ' ' HB2' ' A' ' 26' ' ' TYR . 50.3 tttm -67.49 -39.84 85.22 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.964 -179.195 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.8 mp -65.23 -37.8 88.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.217 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.1 ttpp -66.98 -42.02 85.79 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.348 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.51 -25.34 45.58 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.736 -0.386 . . . . 0.0 111.096 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.504 ' HB2' ' O ' ' A' ' 22' ' ' LYS . 1.0 OUTLIER -77.08 -36.32 55.89 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 178.685 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -105.07 48.13 1.0 Allowed Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 115.469 -0.787 . . . . 0.0 112.006 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.6 ttm180 -71.07 95.74 1.25 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.005 0.431 . . . . 0.0 110.68 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.12 -56.08 13.25 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.983 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -132.11 129.83 40.41 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.069 0.461 . . . . 0.0 111.168 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.56 -26.39 26.19 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.017 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.404 ' O ' ' HB2' ' A' ' 36' ' ' TRP . 34.2 t80 -62.48 -44.26 96.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.406 -179.455 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.4 t -68.0 -23.97 29.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.24 0.543 . . . . 0.0 110.759 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -75.05 -37.97 61.51 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.112 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -89.25 -21.31 23.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.518 -179.179 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.404 ' HB2' ' O ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -80.5 78.95 7.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.132 0.491 . . . . 0.0 110.775 -179.862 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 18.2 pt -122.24 -18.46 4.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.851 -179.602 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.441 ' O ' ' HB3' ' A' ' 39' ' ' LYS . 70.1 m -95.63 -39.41 9.93 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.667 -0.242 . . . . 0.0 111.568 -179.365 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.441 ' HB3' ' O ' ' A' ' 38' ' ' SER . 72.5 tttt 68.82 94.69 0.05 OUTLIER Pre-proline 0 N--CA 1.464 0.236 0 O-C-N 123.555 0.534 . . . . 0.0 109.861 -179.344 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo . . . . . 0 C--O 1.253 1.252 0 C-N-CA 122.705 2.27 . . . . 0.0 112.314 -179.476 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.8 ptp . . . . . 0 N--CA 1.481 1.119 0 CA-C-O 120.507 0.194 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.5 pttm -166.65 146.01 5.61 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.4 p -90.19 -46.13 14.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.67 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -164.24 165.55 21.83 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 29.8 ttm180 -77.31 -23.73 51.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.269 0.557 . . . . 0.0 109.81 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -138.15 69.7 48.59 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.345 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -94.96 13.83 1.33 Allowed 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 123.136 2.557 . . . . 0.0 112.795 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.1 ptmt -107.61 104.21 13.69 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.012 -179.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -86.84 79.71 1.8 Allowed Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.874 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 13.7 m -85.31 150.92 3.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 110.434 -0.21 . . . . 0.0 110.434 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.7 p -157.73 147.32 9.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.559 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -100.6 172.81 6.87 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.4 m -97.91 75.09 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.387 0.613 . . . . 0.0 110.932 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 173.66 160.95 22.99 Favored Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.85 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.425 ' O ' HG12 ' A' ' 19' ' ' ILE . 82.6 mttt 64.55 50.88 2.08 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 121.32 0.581 . . . . 0.0 110.112 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.9 -40.84 85.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.303 -0.862 . . . . 0.0 112.214 -178.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.2 m-90 -67.64 -32.38 73.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.896 0.379 . . . . 0.0 110.358 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.421 ' OE1' ' HA ' ' A' ' 18' ' ' GLU . 32.3 tp10 -72.12 -37.72 69.43 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.813 179.321 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.425 HG12 ' O ' ' A' ' 15' ' ' LYS . 37.3 mm -65.89 -42.79 92.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.705 178.692 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -44.09 97.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.187 179.392 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.45 -39.43 92.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.888 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 46.9 tptt -68.28 -43.62 77.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.145 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.4 mp -64.07 -33.82 76.62 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.074 0.464 . . . . 0.0 110.45 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -78.34 -20.01 52.25 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.153 0.501 . . . . 0.0 110.082 178.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -83.53 -43.72 15.43 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.514 179.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -86.84 -32.96 19.99 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -178.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -101.14 -55.15 0.93 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.351 -0.928 . . . . 0.0 112.934 -178.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.8 ttp180 62.32 39.76 11.99 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 121.244 0.545 . . . . 0.0 110.79 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.3 m -75.6 106.34 7.1 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.423 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -81.83 74.13 8.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.101 0.476 . . . . 0.0 110.455 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -77.92 -26.49 49.04 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.066 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -57.77 -43.18 85.33 Favored 'General case' 0 C--O 1.225 -0.235 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.928 -179.069 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.5 m -73.26 -7.87 10.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.892 0.377 . . . . 0.0 111.673 -179.138 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 40.5 mttt -94.56 -43.83 8.13 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 178.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -76.46 -32.45 58.4 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.777 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 5.0 m95 -113.23 119.04 36.36 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.887 179.093 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 42.5 mm -81.03 78.36 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.3 m 66.9 -175.29 0.19 Allowed 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.582 -179.193 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.428 ' HD2' ' HA ' ' A' ' 39' ' ' LYS . 7.7 mmmm -118.39 93.05 44.66 Favored Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 122.166 -0.334 . . . . 0.0 110.655 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo . . . . . 0 C--O 1.248 0.99 0 C-N-CA 122.877 2.385 . . . . 0.0 111.779 179.311 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.2 mtt . . . . . 0 N--CA 1.477 0.89 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.5 tmtp? -103.46 -32.95 9.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.859 0.361 . . . . 0.0 110.765 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.3 p -76.75 122.31 30.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.988 0.423 . . . . 0.0 110.433 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -104.17 -34.75 8.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.542 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.402 ' HA ' ' NE ' ' A' ' 5' ' ' ARG . 1.7 tpm_? -160.2 -54.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.516 179.435 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -104.41 106.97 56.36 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.642 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -81.28 70.67 7.32 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 122.753 2.302 . . . . 0.0 111.914 179.5 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -70.53 122.29 19.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.891 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -110.96 13.23 29.23 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.6 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.4 m -120.04 140.03 45.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.792 0.329 . . . . 0.0 110.904 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.2 p -131.69 -10.99 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.375 0.607 . . . . 0.0 110.198 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.734 ' HG ' HG23 ' A' ' 13' ' ' VAL . 32.9 tp -135.0 138.91 44.43 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.036 -179.703 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.734 HG23 ' HG ' ' A' ' 12' ' ' LEU . 2.5 t 61.46 51.38 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-O 121.518 0.675 . . . . 0.0 110.27 -179.621 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.59 40.34 1.47 Allowed Glycine 0 N--CA 1.451 -0.329 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.862 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.9 tttt -75.31 -19.76 59.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.893 0.377 . . . . 0.0 111.037 -179.036 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.78 -30.49 68.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.278 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -73.48 -37.45 65.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.591 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -64.25 -38.09 89.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.952 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 76.0 mt -62.19 -45.97 97.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.18 179.145 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -60.6 -42.33 96.53 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.158 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.24 -44.01 96.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.147 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -65.72 -44.57 85.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.957 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.2 mp -65.35 -34.3 78.01 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.926 -179.241 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -74.36 -38.1 63.29 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.776 0.322 . . . . 0.0 110.854 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -74.37 -40.7 61.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.311 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -77.01 -32.91 57.49 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.33 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -90.18 -81.91 1.36 Allowed Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.379 -0.915 . . . . 0.0 112.262 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' A' ' 28' ' ' ARG . 1.9 ttm180 63.62 26.37 14.61 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 122.693 0.397 . . . . 0.0 111.536 179.574 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.5 t -87.85 -12.9 43.54 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.983 0.421 . . . . 0.0 110.606 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.9 p90 -110.16 141.9 42.44 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.445 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -120.14 8.57 10.96 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.138 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -57.8 -47.8 81.55 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.894 0.378 . . . . 0.0 111.331 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.3 p -76.38 -5.14 6.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.278 0.561 . . . . 0.0 111.206 -179.456 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 32.4 tttt -92.63 -36.45 12.97 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.234 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -84.71 -37.89 20.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.579 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 66.7 t90 -97.07 107.68 20.26 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.675 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 61.4 mt -119.28 113.0 39.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.189 0.519 . . . . 0.0 110.984 -179.422 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.489 ' O ' ' HD3' ' A' ' 40' ' ' PRO . 68.1 m -155.09 165.62 36.14 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.525 179.396 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -104.29 101.0 24.22 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-O 120.882 0.372 . . . . 0.0 110.405 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.489 ' HD3' ' O ' ' A' ' 38' ' ' SER . 58.7 Cg_endo . . . . . 0 N--CA 1.448 -1.161 0 C-N-CA 123.204 2.603 . . . . 0.0 112.087 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.478 0.963 0 CA-C-O 121.061 0.457 . . . . 0.0 110.429 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 37.9 mtpt -130.97 176.3 8.35 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.285 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.5 p -86.97 157.96 3.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.024 179.374 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -77.09 166.25 23.52 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.737 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? -55.19 -55.51 30.41 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.293 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 34.4 ttm -126.83 88.48 54.31 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.604 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_exo -66.67 -31.92 39.22 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.815 2.343 . . . . 0.0 111.314 179.303 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.5 tmtm? -135.46 114.01 11.71 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.454 179.275 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.5 146.58 20.18 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.688 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 29.8 m -102.33 10.88 8.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.316 0.579 . . . . 0.0 110.034 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.5 p -148.27 141.44 18.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.63 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.3 mp -131.93 65.0 1.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.079 0.466 . . . . 0.0 110.432 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.5 m -98.23 33.85 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.958 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -149.87 155.1 26.09 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.744 -0.741 . . . . 0.0 111.846 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -66.44 -39.46 88.92 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.552 0.215 . . . . 0.0 111.357 -179.163 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.523 ' HA ' HG22 ' A' ' 19' ' ' ILE . . . -60.71 -35.49 76.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.432 -179.151 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 88.5 m95 -66.41 -48.72 69.16 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.964 0.411 . . . . 0.0 110.581 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.97 -39.95 68.95 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.999 -178.514 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.523 HG22 ' HA ' ' A' ' 16' ' ' ALA . 14.6 tt -64.87 -38.17 82.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.467 -178.612 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -72.26 -38.23 68.92 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.045 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.93 -40.39 83.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.978 0.418 . . . . 0.0 110.422 179.213 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.5 ttpt -67.56 -46.0 73.97 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.459 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.0 mp -63.46 -37.83 88.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.666 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -72.94 -20.81 60.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.758 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.94 -38.92 31.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.788 0.328 . . . . 0.0 110.594 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -87.53 -35.4 18.18 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.868 0.366 . . . . 0.0 111.115 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -101.58 56.1 0.72 Allowed Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.851 -0.69 . . . . 0.0 111.573 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -64.44 -40.56 95.98 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.869 0.366 . . . . 0.0 111.406 -179.086 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -132.62 12.51 4.46 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.138 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -60.9 107.07 0.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.11 -179.242 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.6 mm-40 67.45 9.36 6.96 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.694 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -69.45 -30.35 68.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.079 0.466 . . . . 0.0 110.149 -179.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.411 ' O ' HG12 ' A' ' 37' ' ' ILE . 19.0 t -66.29 -48.12 82.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.075 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 47.8 mtpt -68.53 -23.31 64.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.792 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -72.63 -20.37 61.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.448 0.642 . . . . 0.0 110.052 179.292 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -94.02 -47.96 6.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.804 179.085 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.411 HG12 ' O ' ' A' ' 33' ' ' VAL . 16.0 pt -96.06 51.19 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.285 0.564 . . . . 0.0 111.023 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.2 m -77.07 81.41 3.59 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.711 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -162.55 77.15 1.98 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.196 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo . . . . . 0 C--O 1.248 0.991 0 C-N-CA 123.191 2.594 . . . . 0.0 112.412 -179.879 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 pmm? . . . . . 0 N--CA 1.48 1.06 0 CA-C-O 120.943 0.401 . . . . 0.0 110.589 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.7 mmmt -141.24 -61.41 0.48 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.166 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.7 p -155.6 113.58 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.193 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 4.1 t-160 -146.87 25.88 1.14 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.317 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 17.5 mtp180 -112.73 -87.7 0.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.652 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 9.3 mmt -118.67 83.95 23.45 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 120.863 0.363 . . . . 0.0 110.456 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -88.47 154.06 6.5 Favored 'Trans proline' 0 N--CA 1.453 -0.866 0 C-N-CA 122.73 2.286 . . . . 0.0 112.299 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -97.52 61.78 1.66 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.335 0.588 . . . . 0.0 109.83 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -88.74 78.05 1.74 Allowed Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.09 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.7 t -80.94 65.94 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.432 0.634 . . . . 0.0 110.417 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.9 m -120.05 17.3 6.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.946 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.0 mt 66.61 -167.7 0.21 Allowed 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.723 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.401 HG23 ' H ' ' A' ' 14' ' ' GLY . 1.7 m -126.71 -54.73 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.047 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.401 ' H ' HG23 ' A' ' 13' ' ' VAL . . . 61.25 -123.34 32.08 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.204 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.494 ' O ' HG12 ' A' ' 19' ' ' ILE . 5.9 tmtp? -68.84 -26.14 65.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.697 0.284 . . . . 0.0 110.921 -179.672 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.16 -24.17 67.03 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.331 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.4 ' HB2' ' HB ' ' A' ' 13' ' ' VAL . 39.5 t-105 -68.82 -44.46 73.46 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.029 179.631 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -68.46 -33.13 73.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.924 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.494 HG12 ' O ' ' A' ' 15' ' ' LYS . 38.3 mm -63.13 -39.98 87.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.506 178.684 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.3 ttt180 -62.93 -41.6 99.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.953 179.171 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.2 -46.17 78.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.831 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -60.66 -40.36 91.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.035 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.8 mp -65.46 -34.13 77.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.356 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.506 ' HD3' ' OE1' ' A' ' 31' ' ' GLN . 21.3 mmtp -79.46 -27.95 41.58 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.938 0.399 . . . . 0.0 111.425 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -80.31 -38.33 30.89 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.024 -179.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -87.55 -35.31 18.21 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.69 -179.437 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -87.22 -87.73 1.08 Allowed Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.33 -0.938 . . . . 0.0 112.686 -178.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 63.76 20.79 12.4 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 123.024 0.53 . . . . 0.0 111.587 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.09 111.68 8.43 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.052 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 57.9 55.11 5.57 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.258 0.551 . . . . 0.0 110.678 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.545 ' CA ' HE21 ' A' ' 31' ' ' GLN . 0.0 OUTLIER -87.64 -12.39 45.64 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.812 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -63.01 -39.68 95.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.016 0.436 . . . . 0.0 110.633 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 19.4 m -77.55 -8.38 11.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.999 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.409 ' O ' ' HB3' ' A' ' 38' ' ' SER . 35.3 tptt -88.75 -23.32 22.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.134 0.492 . . . . 0.0 109.836 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -98.24 -22.02 16.37 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.327 178.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 43.6 t-105 -81.88 106.37 13.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.274 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.3 mt 54.8 63.51 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-O 121.532 0.682 . . . . 0.0 110.685 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.409 ' HB3' ' O ' ' A' ' 34' ' ' LYS . 0.1 OUTLIER -84.21 75.55 10.18 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.482 -179.896 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -119.3 102.58 48.19 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.658 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo . . . . . 0 C--O 1.249 1.06 0 C-N-CA 122.927 2.418 . . . . 0.0 111.529 179.129 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 mmt . . . . . 0 N--CA 1.481 1.091 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -69.2 -54.98 12.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.919 0.39 . . . . 0.0 110.217 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.6 p -80.5 133.83 28.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.31 0.576 . . . . 0.0 110.127 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -97.99 51.18 1.03 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.498 0.666 . . . . 0.0 110.314 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.31 26.95 16.47 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 114.421 -1.263 . . . . 0.0 111.999 179.279 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 12.9 ttt -164.02 94.93 1.01 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.433 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -86.72 104.9 0.67 Allowed 'Trans proline' 0 N--CA 1.455 -0.762 0 C-N-CA 122.952 2.435 . . . . 0.0 112.235 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -94.91 147.95 22.83 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.451 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 125.0 65.79 0.19 Allowed Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.837 -179.596 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 38.1 t -90.61 103.21 14.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.935 0.397 . . . . 0.0 111.29 -179.575 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.9 m -116.17 15.71 7.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.422 0.629 . . . . 0.0 110.135 179.127 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 31.4 mt -79.98 122.05 26.24 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.97 -179.159 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 20.2 t -79.36 135.91 24.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.442 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 133.18 -52.17 0.83 Allowed Glycine 0 N--CA 1.448 -0.55 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.923 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.2 pttt -103.42 25.96 8.99 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.139 0.495 . . . . 0.0 110.692 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.93 -37.22 86.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.825 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 21.9 m-90 -72.53 -24.43 61.14 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.451 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -74.9 -48.72 23.26 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.12 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.468 ' O ' ' HB2' ' A' ' 23' ' ' LEU . 8.0 tp -66.15 -31.47 53.8 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.984 -179.619 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -67.48 -42.68 82.55 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-O 121.034 0.445 . . . . 0.0 110.276 178.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.59 -43.08 73.51 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.56 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -64.59 -41.86 95.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.181 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.468 ' HB2' ' O ' ' A' ' 19' ' ' ILE . 1.0 OUTLIER -67.71 -32.99 74.01 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.158 -179.309 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -69.73 -37.74 76.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.869 0.366 . . . . 0.0 111.186 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -74.06 -33.75 63.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.22 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -82.23 -41.94 19.6 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.73 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -102.12 57.5 0.63 Allowed Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 111.606 -0.598 . . . . 0.0 111.606 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -70.01 92.09 0.71 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.175 0.512 . . . . 0.0 110.838 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 15.2 t -97.18 7.63 46.21 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.277 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 67.19 -173.19 0.19 Allowed 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.496 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.17 25.99 10.09 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.158 0.504 . . . . 0.0 110.653 -179.389 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -58.69 -47.62 83.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.699 -178.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.9 t -67.08 -27.65 40.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.179 0.514 . . . . 0.0 111.121 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.8 tmtt? -74.36 -40.48 62.09 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.363 -179.352 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -77.87 -42.13 34.47 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.23 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 5.9 t90 -98.66 56.89 1.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.548 0.69 . . . . 0.0 109.595 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 11.6 tt -66.73 126.37 26.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.763 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 m -110.74 168.42 9.49 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.99 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.418 ' N ' ' HD3' ' A' ' 40' ' ' PRO . 32.0 ttpt 60.46 64.58 2.47 Favored Pre-proline 0 CA--C 1.537 0.46 0 O-C-N 123.66 0.6 . . . . 0.0 111.016 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' A' ' 39' ' ' LYS . 10.3 Cg_endo . . . . . 0 C--O 1.247 0.964 0 C-N-CA 123.258 2.639 . . . . 0.0 111.967 -179.521 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.0 mmt . . . . . 0 N--CA 1.484 1.257 0 CA-C-O 120.503 0.192 . . . . 0.0 111.43 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -118.78 132.44 56.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.645 0.259 . . . . 0.0 110.465 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 32.6 m -121.72 167.98 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.044 179.117 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -83.59 58.47 4.6 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.37 -179.639 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 33.6 ttt180 49.52 66.66 1.06 Allowed 'General case' 0 C--O 1.235 0.298 0 O-C-N 123.626 0.579 . . . . 0.0 111.096 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 13.5 mmt 61.72 84.27 0.19 Allowed Pre-proline 0 N--CA 1.468 0.458 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.947 -178.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -74.51 136.05 20.96 Favored 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 122.925 2.416 . . . . 0.0 112.584 -178.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.0 mmtp -132.54 175.74 9.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.595 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.64 143.99 17.1 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.744 -0.741 . . . . 0.0 111.321 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.7 m -72.86 128.74 35.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.04 0.448 . . . . 0.0 110.671 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 16.0 m -112.31 16.22 8.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.784 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 53.8 tp -69.16 130.48 42.8 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.588 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.2 t -89.69 98.58 8.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.966 179.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 115.8 162.05 13.13 Favored Glycine 0 N--CA 1.447 -0.575 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 -179.332 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt 60.59 26.4 16.09 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.888 0.375 . . . . 0.0 110.904 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.94 -19.47 65.73 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.371 -179.265 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 7.7 t90 -82.32 -34.16 28.68 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.035 0.445 . . . . 0.0 109.98 179.246 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -69.64 -44.9 69.66 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.734 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.1 tp -65.08 -34.26 69.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.024 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.44 ' HG3' ' N ' ' A' ' 21' ' ' ALA . 0.5 OUTLIER -71.21 -32.0 68.28 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 121.053 -0.259 . . . . 0.0 110.511 179.894 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.44 ' N ' ' HG3' ' A' ' 20' ' ' ARG . . . -70.95 -42.0 70.37 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.096 0.474 . . . . 0.0 110.276 179.559 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 50.3 tttp -69.16 -30.47 68.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.233 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.0 mp -82.71 -19.2 38.48 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.867 179.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.2 ttmt -84.14 -29.92 26.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.759 0.314 . . . . 0.0 111.027 -179.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 21' ' ' ALA . 6.3 pt-20 -79.86 -41.7 25.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.864 0.364 . . . . 0.0 110.572 179.472 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -83.46 -37.0 23.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.824 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -115.89 59.43 0.44 Allowed Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.888 -179.31 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.1 ptt-85 -58.68 107.67 0.54 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.25 0.548 . . . . 0.0 110.9 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.06 13.29 27.63 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.599 0.714 . . . . 0.0 110.522 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 29.0 p90 -120.13 151.75 38.62 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.62 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 64.12 25.46 13.72 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 123.526 0.516 . . . . 0.0 111.544 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -64.32 -34.45 78.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.939 0.399 . . . . 0.0 110.729 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 28.8 m -76.33 -15.03 15.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.255 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.3 mtpt -97.55 -28.38 13.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.29 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -80.37 -33.79 36.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.355 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 59.6 t90 -110.43 123.15 49.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.0 tt -77.88 126.66 38.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.826 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.6 m -83.99 136.84 33.9 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.113 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 56.5 tptt 62.65 76.28 0.38 Allowed Pre-proline 0 C--O 1.235 0.305 0 CA-C-O 121.388 0.613 . . . . 0.0 110.893 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo . . . . . 0 C--O 1.25 1.101 0 C-N-CA 123.178 2.585 . . . . 0.0 112.08 -179.83 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.484 1.266 0 CA-C-O 120.586 0.232 . . . . 0.0 111.285 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 40.6 mttt -134.01 167.56 20.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.863 0.363 . . . . 0.0 110.941 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.7 p -152.6 154.83 7.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.491 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 29.5 m170 -98.41 -177.99 3.88 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 110.07 -0.344 . . . . 0.0 110.07 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -70.96 -44.84 65.23 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.975 0.417 . . . . 0.0 110.567 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 25.1 ttt -117.22 92.24 39.23 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.031 179.369 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -81.6 85.65 1.7 Allowed 'Trans proline' 0 N--CA 1.459 -0.53 0 C-N-CA 122.638 2.225 . . . . 0.0 111.868 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.3 mttt 71.81 179.28 0.24 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.514 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -118.99 134.32 10.73 Favored Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 111.621 -0.592 . . . . 0.0 111.621 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.8 m -86.51 150.24 3.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.974 0.416 . . . . 0.0 111.336 -179.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.0 m -118.44 36.28 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.859 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.9 mp -69.76 159.8 32.88 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.166 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.9 m -90.31 34.09 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.95 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -93.47 -155.52 31.95 Favored Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 115.819 -0.628 . . . . 0.0 112.087 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.4 mttm 62.99 36.72 12.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.101 0.477 . . . . 0.0 110.211 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.4 -45.78 92.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.398 -179.317 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 65.4 t90 -66.46 -40.01 89.16 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.994 0.426 . . . . 0.0 110.065 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -64.34 -44.25 92.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.965 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.2 tp -72.31 -32.45 42.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.158 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -64.92 -44.04 90.82 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.53 -33.88 76.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.646 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -70.16 -45.97 65.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.478 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.1 mp -65.4 -31.57 72.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.943 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.8 ttpt -81.74 -15.1 55.44 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.234 0.54 . . . . 0.0 110.425 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -90.45 -42.78 10.68 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.109 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -86.15 -32.35 21.32 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.317 -179.357 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -110.48 68.82 0.22 Allowed Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.477 -179.206 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.8 ptt180 -106.54 42.03 1.34 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.09 0.471 . . . . 0.0 110.381 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.61 -43.51 69.18 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.014 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 68.07 15.98 9.47 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.612 179.327 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.14 -53.03 59.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.753 -179.25 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -64.73 -22.61 67.02 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -178.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 58.4 t -77.41 -44.13 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.833 0.349 . . . . 0.0 110.441 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.6 mttm -72.23 -29.46 63.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.794 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -79.78 -10.72 59.82 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.986 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.418 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 1.1 t90 -90.69 139.97 30.21 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.771 -179.424 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.0 tt -77.89 -16.78 14.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.458 0.647 . . . . 0.0 110.153 178.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.6 t -84.29 -42.1 16.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.792 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' A' ' 36' ' ' TRP . 46.6 mtpt 53.39 75.65 0.61 Allowed Pre-proline 0 N--CA 1.468 0.434 0 O-C-N 123.553 0.533 . . . . 0.0 111.47 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo . . . . . 0 C--O 1.249 1.044 0 C-N-CA 123.224 2.616 . . . . 0.0 112.555 -179.48 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.124 0 CA-C-O 120.919 0.39 . . . . 0.0 110.726 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -159.72 -167.99 2.14 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.685 179.627 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.7 p -61.23 131.39 26.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.01 0.433 . . . . 0.0 110.726 179.187 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -66.47 -71.09 0.21 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.232 -179.452 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.404 ' HG2' ' SD ' ' A' ' 6' ' ' MET . 16.9 ttm-85 -166.25 145.94 6.06 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.393 -179.39 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.404 ' SD ' ' HG2' ' A' ' 5' ' ' ARG . 1.7 mpt? 55.3 75.51 0.59 Allowed Pre-proline 0 N--CA 1.466 0.344 0 O-C-N 124.109 0.881 . . . . 0.0 111.675 179.575 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -66.52 108.99 1.51 Allowed 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.061 1.841 . . . . 0.0 111.753 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 57.4 pttt -67.7 140.95 56.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.505 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.27 170.6 23.62 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.06 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.1 m -130.59 124.53 57.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.743 0.306 . . . . 0.0 110.889 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.1 p -153.46 135.38 5.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -121.03 158.48 27.71 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.374 -179.216 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 59.5 t -85.04 104.95 13.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.9 179.064 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 91.04 -148.94 19.62 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.786 -0.721 . . . . 0.0 111.618 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 49.4 mttt 60.53 35.56 20.14 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.974 0.416 . . . . 0.0 110.562 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.84 -36.14 80.32 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.448 -179.187 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 55.8 m95 -69.58 -45.98 67.4 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.443 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -64.4 -44.83 90.07 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.833 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.1 tt -66.74 -34.85 72.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.958 -179.122 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -73.25 -34.4 65.82 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.989 -0.285 . . . . 0.0 110.345 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.07 -42.19 85.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.146 0.498 . . . . 0.0 109.673 178.592 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -64.84 -42.72 94.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.146 179.056 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 mp -62.19 -36.82 83.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.492 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.7 ttpt -69.67 -34.49 74.04 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.718 179.511 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -75.66 -41.01 55.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.842 0.353 . . . . 0.0 110.773 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -78.71 -37.14 42.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.745 -178.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -145.77 82.06 0.2 Allowed Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.271 -179.558 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 28' ' ' ARG . 11.3 ttt-85 -69.46 -0.81 7.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.023 0.44 . . . . 0.0 111.347 -179.497 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 p -71.97 -24.46 61.6 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.355 179.231 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 57.88 43.76 21.02 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.283 -0.872 . . . . 0.0 111.042 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -52.32 -41.64 63.14 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.493 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -64.72 -42.73 95.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.061 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.9 t -74.98 -15.66 15.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.251 0.548 . . . . 0.0 110.948 -179.017 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.0 tmtt? -81.09 -41.26 22.82 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.656 178.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.35 -37.78 25.18 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.65 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 89.6 t90 -112.98 108.4 17.3 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.523 179.347 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 31.5 pt -91.82 148.5 4.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.343 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.85 59.07 4.11 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.0 0.429 . . . . 0.0 111.012 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -116.66 100.12 53.23 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.117 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo . . . . . 0 C--O 1.248 0.991 0 C-N-CA 122.44 2.093 . . . . 0.0 111.94 179.571 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.0 ttt . . . . . 0 N--CA 1.479 1.004 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.3 tmtt? -72.72 -48.13 41.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.216 -179.289 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.525 HG13 ' H ' ' A' ' 5' ' ' ARG . 9.7 p -65.56 -34.53 71.0 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-O 120.798 0.332 . . . . 0.0 110.95 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 29.4 t60 59.96 17.05 6.28 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.749 179.447 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.525 ' H ' HG13 ' A' ' 3' ' ' VAL . 4.5 mpt_? -144.59 -167.03 2.54 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.543 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 20.3 mmt -107.7 96.43 16.93 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-O 120.623 0.249 . . . . 0.0 110.516 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -80.4 154.98 21.61 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.924 2.416 . . . . 0.0 111.658 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.63 167.25 24.22 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.046 0.45 . . . . 0.0 111.189 -179.017 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.82 83.93 0.91 Allowed Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.067 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 18.7 m -67.88 -6.2 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.82 0.343 . . . . 0.0 111.635 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 17.2 m -79.31 -26.37 12.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.988 179.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.2 mp 59.84 83.45 0.13 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.743 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.9 m -82.23 -12.55 12.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.219 -179.393 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 100.33 98.15 2.25 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.486 -0.864 . . . . 0.0 112.089 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.6 mttp -66.53 -16.01 63.82 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.619 0.229 . . . . 0.0 111.619 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.76 -39.98 82.56 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.709 -0.223 . . . . 0.0 111.395 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -62.87 -43.56 98.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.863 0.364 . . . . 0.0 110.076 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -61.63 -42.3 98.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.341 179.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.61 -46.51 96.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.723 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 59.3 mtt-85 -62.39 -41.25 98.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.043 -179.587 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.11 -36.35 81.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.105 0.479 . . . . 0.0 111.058 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -73.55 -42.81 61.19 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.627 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.1 mp -63.52 -41.24 98.51 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.077 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -70.27 -22.96 62.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.081 0.467 . . . . 0.0 110.749 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -80.67 -46.52 15.45 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.28 179.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -75.28 -36.53 61.18 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.608 -178.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -124.22 72.82 0.42 Allowed Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.405 -0.902 . . . . 0.0 112.733 -179.231 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.5 tpp180 -61.92 131.43 49.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.828 0.347 . . . . 0.0 110.149 179.485 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -78.92 67.69 4.69 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.957 -179.355 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -140.13 15.03 2.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.18 0.514 . . . . 0.0 111.083 179.608 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -89.11 12.39 15.86 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.859 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -60.94 -49.17 78.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.625 -178.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.2 p -63.08 -36.2 74.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.049 0.452 . . . . 0.0 111.002 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.7 ttmt -69.43 -45.48 69.06 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.474 179.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -65.35 -35.17 80.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.23 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 11.7 t-105 -64.5 -48.35 75.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.632 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 20.6 mm -92.4 70.4 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.511 0.672 . . . . 0.0 110.657 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.2 m -139.5 74.52 1.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.176 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.1 mtmm 61.44 65.17 1.9 Allowed Pre-proline 0 N--CA 1.464 0.262 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.273 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_exo . . . . . 0 C--O 1.247 0.941 0 C-N-CA 122.817 2.344 . . . . 0.0 111.847 -179.821 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ttt . . . . . 0 N--CA 1.48 1.037 0 CA-C-O 120.669 0.271 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -86.78 131.58 34.08 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.836 0.35 . . . . 0.0 110.413 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.7 m -90.6 122.7 42.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.573 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 13.3 p80 -153.47 54.48 0.74 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.36 0.6 . . . . 0.0 111.125 -179.415 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.2 ttt180 -140.84 49.61 1.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.03 179.367 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 8.3 ttt 57.01 71.99 1.03 Allowed Pre-proline 0 C--O 1.234 0.259 0 CA-C-N 114.904 -1.044 . . . . 0.0 111.405 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -85.05 161.45 11.65 Favored 'Trans proline' 0 N--CA 1.456 -0.68 0 C-N-CA 122.711 2.274 . . . . 0.0 112.256 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.4 mtpt -102.71 131.53 49.47 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.911 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -156.77 -143.04 3.55 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.586 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -122.29 102.9 12.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.976 0.417 . . . . 0.0 111.239 -179.509 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 15.8 m -92.73 30.14 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.232 0.539 . . . . 0.0 110.598 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 64.3 mt -77.4 -18.04 57.64 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 36.0 t -76.14 117.25 20.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.261 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -111.7 -117.17 3.61 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.006 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.6 40.34 3.4 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.133 0.492 . . . . 0.0 110.314 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.23 -44.01 80.57 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.539 -179.287 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 72.0 m95 -69.71 -31.02 68.8 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.937 0.399 . . . . 0.0 110.388 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -67.18 -46.43 73.98 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.959 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.6 tt -70.01 -34.38 59.44 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-O 120.907 0.384 . . . . 0.0 110.341 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 42.3 mtt180 -65.42 -46.86 78.3 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.459 179.219 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.55 -46.68 86.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.317 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -61.88 -44.48 96.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.996 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.5 mp -66.42 -30.28 70.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.711 0.291 . . . . 0.0 111.609 -179.35 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -79.88 -31.53 40.32 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.093 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -84.33 -37.96 20.95 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.296 -179.188 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -85.47 -18.69 32.83 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.98 0.419 . . . . 0.0 110.904 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -97.19 -99.47 1.98 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.858 -179.301 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.2 mtt-85 59.35 43.28 16.83 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 122.795 0.438 . . . . 0.0 111.103 -179.126 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.79 60.33 1.71 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.212 -179.696 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -120.26 43.51 2.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.079 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -86.25 -20.27 28.7 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.7 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -57.68 -36.77 72.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.366 -179.467 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 14.5 p -66.45 -27.53 40.63 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-O 120.971 0.415 . . . . 0.0 111.162 -179.239 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.6 mtmt -92.64 -13.51 29.43 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.268 0.556 . . . . 0.0 110.069 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -87.66 -40.65 13.99 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.322 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 23.5 m95 -87.39 121.04 29.3 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.03 179.322 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 32.5 pt -72.07 141.55 16.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.896 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.94 21.71 6.41 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.719 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 43.6 tttp -120.75 120.18 29.69 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.488 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo . . . . . 0 C--O 1.247 0.971 0 C-N-CA 122.528 2.152 . . . . 0.0 111.704 178.949 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.9 tpp . . . . . 0 N--CA 1.481 1.11 0 CA-C-O 120.567 0.222 . . . . 0.0 110.529 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 86.4 mttt 63.76 22.31 13.02 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.077 0.551 . . . . 0.0 111.855 179.438 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.4 p -67.97 -25.13 31.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.368 -179.403 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 28.0 p80 -108.09 18.57 21.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.441 0.639 . . . . 0.0 110.376 179.597 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.4 mtt180 -123.2 33.3 5.42 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.295 -0.866 . . . . 0.0 108.697 178.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 47.6 mtp 58.44 77.45 0.4 Allowed Pre-proline 0 C--O 1.234 0.238 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.998 -178.165 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -67.3 -37.54 17.68 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.682 2.254 . . . . 0.0 111.505 -179.239 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 72.8 mttt -138.47 -173.87 3.66 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.206 179.291 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -74.32 -101.85 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.678 -0.773 . . . . 0.0 111.725 179.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.8 t 53.41 78.08 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-O 121.209 0.528 . . . . 0.0 111.34 179.357 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 16.0 m -94.6 -22.75 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.629 -179.18 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.7 mt -88.1 50.46 1.99 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.972 0.415 . . . . 0.0 110.995 -179.067 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.9 m -83.09 153.1 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.326 -179.269 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -112.45 176.76 18.06 Favored Glycine 0 N--CA 1.444 -0.775 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 179.451 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.2 mtmt -62.5 -26.84 68.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.575 0.226 . . . . 0.0 111.488 -179.336 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.04 -25.7 67.17 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.083 0.468 . . . . 0.0 111.091 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 62.8 t-105 -80.46 -41.27 24.72 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.823 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -71.17 -40.33 71.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.581 -0.736 . . . . 0.0 112.027 -179.028 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 15.0 tt -61.69 -39.09 82.02 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.123 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.507 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.2 mtp85 -68.85 -37.89 79.41 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.265 179.611 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.08 -35.91 80.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.66 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 44.3 tptt -74.61 -40.47 61.53 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.227 179.331 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.9 mp -62.97 -39.45 94.73 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.949 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.0 pttt -78.85 -16.2 57.38 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.473 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -79.35 -47.5 15.69 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.938 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -95.1 -28.0 15.3 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.397 -179.34 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -106.29 47.88 1.01 Allowed Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.607 -0.806 . . . . 0.0 111.958 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -68.48 -60.26 2.56 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.952 0.406 . . . . 0.0 110.156 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.3 m -160.03 -68.21 0.07 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.77 179.184 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 43.6 p90 -135.7 141.35 44.91 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 179.639 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 17.8 mm100 -123.98 -46.15 1.97 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.849 0.356 . . . . 0.0 111.139 -179.305 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -65.44 -36.74 84.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.709 -178.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 39.8 t -64.05 -32.22 56.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.083 0.468 . . . . 0.0 110.372 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.55 -11.05 49.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.043 -179.533 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -94.08 -34.76 12.86 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.143 0.496 . . . . 0.0 110.428 179.54 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 15.1 m0 -83.05 -42.13 17.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.377 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 36.4 mm -98.44 128.71 49.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.633 -179.176 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.0 t 64.08 65.43 0.69 Allowed 'General case' 0 C--O 1.233 0.192 0 CA-C-O 121.459 0.647 . . . . 0.0 110.392 -179.629 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.0 pttp -117.2 107.19 45.87 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.25 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo . . . . . 0 C--O 1.246 0.894 0 C-N-CA 122.697 2.265 . . . . 0.0 111.811 179.533 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.0 tpt . . . . . 0 N--CA 1.48 1.06 0 CA-C-O 120.645 0.259 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -78.18 64.22 3.28 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.793 0.33 . . . . 0.0 111.427 -179.072 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.428 HG23 ' H ' ' A' ' 4' ' ' HIS . 0.0 OUTLIER -146.68 -60.67 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.18 0.514 . . . . 0.0 110.211 179.518 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.428 ' H ' HG23 ' A' ' 3' ' ' VAL . 1.8 m80 -147.99 176.64 10.02 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -77.46 -19.83 55.37 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.012 0.434 . . . . 0.0 110.052 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 24.0 ttt -149.76 81.61 7.0 Favored Pre-proline 0 C--N 1.328 -0.37 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.41 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -79.61 -21.08 8.89 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.677 2.251 . . . . 0.0 112.427 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -134.15 150.52 51.12 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.821 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 178.21 74.3 0.06 OUTLIER Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.348 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 31.3 m -91.8 -16.41 7.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.944 0.402 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.1 t -90.83 70.1 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.273 0.558 . . . . 0.0 110.053 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -96.51 94.99 7.7 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.399 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.8 t -104.56 81.43 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.201 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 114.42 119.72 3.42 Favored Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.398 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.0 mmtp -70.71 -11.58 61.03 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 120.832 0.349 . . . . 0.0 111.115 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.91 -26.94 68.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.198 0.523 . . . . 0.0 109.809 178.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 12.8 m95 -78.44 -36.13 45.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.864 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -66.73 -45.3 79.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.899 -179.312 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.3 tp -62.53 -35.67 71.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.138 -179.391 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 40.8 ttt180 -72.7 -41.9 64.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.851 0.358 . . . . 0.0 110.382 179.59 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.609 ' O ' ' HG3' ' A' ' 24' ' ' LYS . . . -67.56 -39.96 84.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.766 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.4 ttmt -65.92 -38.0 87.54 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.407 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.9 mp -72.06 -25.49 61.8 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.976 -179.196 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.609 ' HG3' ' O ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -87.93 -19.6 27.06 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.547 -0.461 . . . . 0.0 111.073 179.454 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -89.15 -39.57 13.49 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.879 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -98.65 -23.01 15.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.752 -179.471 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.4 17.93 54.1 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.452 -0.88 . . . . 0.0 112.471 -179.237 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.8 ttp-105 -101.28 130.28 47.4 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 179.218 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.8 t -60.12 127.81 33.69 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.087 0.47 . . . . 0.0 110.931 -179.449 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 33.5 p90 -127.41 145.5 50.8 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.871 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 19.8 tm0? -132.97 -42.19 0.9 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.201 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -58.99 -53.49 57.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.474 -179.053 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 35.6 m -71.55 -9.84 13.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.661 0.267 . . . . 0.0 111.506 -179.598 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -83.42 -44.03 15.21 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 179.292 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -77.17 -38.07 52.42 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.175 179.313 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 29.9 t-105 -83.76 90.4 7.32 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.324 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.2 pt -77.16 125.81 37.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.23 0.538 . . . . 0.0 110.976 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 m -109.56 -20.61 12.8 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.119 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.9 pttt -146.26 93.49 5.04 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.543 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo . . . . . 0 C--O 1.247 0.962 0 C-N-CA 122.781 2.32 . . . . 0.0 112.661 -179.347 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mpt? . . . . . 0 N--CA 1.476 0.869 0 CA-C-O 120.861 0.362 . . . . 0.0 110.587 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.9 tptt -108.96 152.83 24.42 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.113 179.478 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.1 p -119.42 116.05 49.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.301 0.572 . . . . 0.0 110.25 179.534 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -148.41 -178.02 6.09 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.985 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 26.4 ttt85 63.67 84.68 0.14 Allowed 'General case' 0 N--CA 1.465 0.289 0 O-C-N 123.51 0.506 . . . . 0.0 111.17 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 41.3 ttp 51.87 68.42 3.22 Favored Pre-proline 0 CA--C 1.535 0.388 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.498 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -73.5 -24.78 15.84 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.759 2.306 . . . . 0.0 113.002 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 70.7 tttt -127.43 -46.95 1.45 Allowed 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.981 -0.288 . . . . 0.0 111.444 -179.482 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.13 -68.9 1.63 Allowed Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 121.067 -0.587 . . . . 0.0 111.843 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.0 t 61.23 59.44 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-O 121.385 0.612 . . . . 0.0 110.784 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.9 p -100.24 -2.55 9.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.36 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.8 tp -80.77 117.44 21.43 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.56 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.475 HG12 ' H ' ' A' ' 14' ' ' GLY . 1.4 t -119.15 172.61 6.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.475 ' H ' HG12 ' A' ' 13' ' ' VAL . . . 125.76 -105.63 0.82 Allowed Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.501 -0.857 . . . . 0.0 112.873 179.366 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.502 ' O ' HG12 ' A' ' 19' ' ' ILE . 25.7 mtpp -66.72 -21.82 66.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.769 0.318 . . . . 0.0 110.891 -179.387 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.23 -25.49 59.2 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.59 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 4.4 t-105 -72.05 -43.93 64.13 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.818 0.342 . . . . 0.0 110.375 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -66.83 -36.31 82.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.497 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.502 HG12 ' O ' ' A' ' 15' ' ' LYS . 47.5 mm -58.3 -42.57 84.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.551 179.727 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.4 ttt-85 -64.45 -41.59 96.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.349 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.43 -46.39 86.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.365 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -63.13 -40.78 98.59 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.681 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.5 mp -63.41 -35.13 79.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.611 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.468 ' O ' ' HB2' ' A' ' 28' ' ' ARG . 18.0 tppt? -74.58 -33.45 62.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.583 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -66.96 -44.7 79.85 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.843 0.354 . . . . 0.0 110.963 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -81.99 -38.22 25.44 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.626 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -99.74 47.57 1.3 Allowed Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.734 -178.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.468 ' HB2' ' O ' ' A' ' 24' ' ' LYS . 26.9 ttt180 -94.14 -76.21 0.49 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 179.186 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 p -147.69 -78.9 0.15 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.314 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -85.38 82.14 8.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.089 0.471 . . . . 0.0 110.741 -179.451 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.42 ' H ' ' HG3' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -79.37 -14.27 59.07 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.704 -179.782 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -62.16 -30.03 70.77 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 -179.448 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.428 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 6.6 p -75.14 -14.23 15.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.895 0.378 . . . . 0.0 111.351 -179.328 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 45.0 tptt -94.35 -33.52 13.15 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.034 0.445 . . . . 0.0 110.23 179.692 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -82.58 -34.51 27.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.536 179.62 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -123.26 95.82 4.75 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.994 -179.661 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.428 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 14.1 tt -139.77 116.42 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.551 0.691 . . . . 0.0 111.993 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.2 p -127.21 29.5 5.56 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.686 179.021 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.4 73.03 0.67 Allowed Pre-proline 0 N--CA 1.465 0.302 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.121 -179.076 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_endo . . . . . 0 C--O 1.248 1.011 0 C-N-CA 122.85 2.366 . . . . 0.0 111.39 179.054 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.0 mtt . . . . . 0 N--CA 1.483 1.21 0 CA-C-O 120.998 0.427 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -98.36 -41.68 7.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.881 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.7 m -105.87 165.42 3.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.168 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -79.07 -50.74 10.58 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.2 ttp180 -172.91 -56.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.486 179.312 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 53.9 ttm -113.9 105.08 54.83 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.435 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -78.6 -176.43 3.27 Favored 'Trans proline' 0 N--CA 1.46 -0.47 0 C-N-CA 122.747 2.298 . . . . 0.0 112.014 179.543 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.2 tptt -112.36 83.49 1.81 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.252 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.05 67.51 3.42 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.043 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 18.1 t -90.34 91.62 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.171 0.51 . . . . 0.0 110.42 -179.459 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.2 t -86.1 -26.26 6.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.967 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.8 mp -66.37 134.61 52.9 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.556 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 38.4 t -73.24 136.05 26.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.487 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 128.04 141.37 5.24 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.744 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -98.13 8.02 45.41 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.482 0.182 . . . . 0.0 111.001 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.4 -45.62 93.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.966 0.412 . . . . 0.0 110.489 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 48.4 t-105 -66.13 -35.7 81.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.95 179.21 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -63.95 -49.9 70.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.051 179.577 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.2 mt -61.39 -40.03 84.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.833 179.239 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 20' ' ' ARG . 0.8 OUTLIER -59.98 -50.9 71.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.393 179.407 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.473 ' O ' ' HG2' ' A' ' 25' ' ' GLU . . . -63.96 -41.61 97.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.604 -179.63 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -60.51 -43.97 96.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.735 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.8 mp -74.19 -27.27 60.72 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.471 -178.542 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.433 ' HA ' ' HD3' ' A' ' 24' ' ' LYS . 30.7 mmtp -78.52 -21.11 49.33 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 121.012 -0.275 . . . . 0.0 111.552 -179.652 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' A' ' 21' ' ' ALA . 10.1 pt-20 -95.62 -19.39 19.79 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.267 178.278 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -92.28 -41.93 10.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.274 179.327 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -139.3 86.78 0.21 Allowed Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 111.459 -0.656 . . . . 0.0 111.459 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 -85.47 74.74 10.29 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.962 0.411 . . . . 0.0 111.38 -178.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 89.5 m -88.85 81.11 7.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.334 0.587 . . . . 0.0 110.081 178.69 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 58.59 -158.12 0.3 Allowed 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.426 179.576 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -168.62 -62.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.4 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -63.62 -32.89 74.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.035 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 10.9 t -75.39 -30.71 22.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.994 0.425 . . . . 0.0 110.515 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 26.3 tttm -71.17 -41.2 70.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.944 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -81.32 -30.23 33.94 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.657 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER 59.78 58.45 2.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.285 -179.644 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.6 tp -69.52 -32.97 54.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.21 -179.285 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.7 m 58.13 73.02 0.49 Allowed 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.713 -179.355 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 28.8 tttm -80.49 114.66 49.34 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.229 -179.7 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 39' ' ' LYS . 17.1 Cg_exo . . . . . 0 C--O 1.247 0.938 0 C-N-CA 122.718 2.279 . . . . 0.0 112.078 -179.582 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.0 ttm . . . . . 0 N--CA 1.48 1.032 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 62.1 mmtt -134.92 -70.25 0.5 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.462 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.3 p -80.62 135.45 25.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.248 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 16.1 m80 -70.05 -46.63 64.59 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 121.065 -0.254 . . . . 0.0 110.774 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.417 ' O ' ' HD3' ' A' ' 7' ' ' PRO . 7.4 tpt180 -160.05 -57.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.689 0.281 . . . . 0.0 111.498 179.514 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.481 ' O ' ' HG2' ' A' ' 6' ' ' MET . 0.0 OUTLIER -96.65 108.22 41.36 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-O 121.148 0.499 . . . . 0.0 111.46 -178.867 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.417 ' HD3' ' O ' ' A' ' 5' ' ' ARG . 10.5 Cg_endo -90.83 24.33 0.59 Allowed 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 123.174 2.583 . . . . 0.0 111.472 178.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.1 pttt -96.0 139.82 31.64 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.759 -179.503 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 178.2 140.08 3.7 Favored Glycine 0 N--CA 1.443 -0.864 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 179.618 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.0 t -113.52 102.65 14.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 120.817 0.342 . . . . 0.0 110.288 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.9 p -128.12 105.18 13.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.269 0.557 . . . . 0.0 110.215 179.497 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.1 pp -97.78 -7.11 31.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.745 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.4 t -81.92 112.51 19.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.4 -179.141 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.87 -82.06 1.65 Allowed Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.994 178.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.8 mtmt 61.87 29.15 17.8 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.957 0.408 . . . . 0.0 110.624 -178.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.586 ' O ' ' HB2' ' A' ' 20' ' ' ARG . . . -59.87 -37.13 78.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.253 -179.437 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -68.79 -41.27 78.95 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.996 0.427 . . . . 0.0 110.569 179.608 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -67.4 -46.87 71.98 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.343 -179.02 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.532 ' O ' ' HB2' ' A' ' 23' ' ' LEU . 10.9 tp -69.69 -28.71 38.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.819 0.342 . . . . 0.0 110.861 -178.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.586 ' HB2' ' O ' ' A' ' 16' ' ' ALA . 0.1 OUTLIER -75.15 -40.11 59.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.818 0.342 . . . . 0.0 110.282 179.756 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.38 -45.9 68.22 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.79 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.406 ' HD2' ' HA ' ' A' ' 22' ' ' LYS . 19.6 tptm -66.41 -34.43 77.93 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.336 -179.142 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.532 ' HB2' ' O ' ' A' ' 19' ' ' ILE . 1.0 OUTLIER -69.58 -43.5 72.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.281 -179.611 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.9 pttt -77.98 -11.27 59.89 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.726 -179.578 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.69 -42.98 27.04 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.791 179.176 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -96.44 -31.59 12.75 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.164 -179.669 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -113.56 51.5 0.7 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.542 -0.837 . . . . 0.0 112.208 -179.217 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -66.29 -56.43 11.26 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.84 0.353 . . . . 0.0 110.875 -179.658 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.0 t -112.62 -4.17 14.18 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.542 -179.563 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -65.4 -24.0 67.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.896 0.379 . . . . 0.0 111.434 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -62.03 -33.05 73.64 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.908 179.559 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -74.03 -43.16 58.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.495 -179.509 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.5 p -71.78 -19.36 20.15 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 CA-C-O 121.372 0.606 . . . . 0.0 110.977 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -87.53 -32.86 19.17 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.282 179.496 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -79.67 -36.84 37.08 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.941 -179.504 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -73.61 126.98 31.51 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 120.989 0.423 . . . . 0.0 110.568 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.7 tt -126.1 143.18 40.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -179.301 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.4 m -142.37 -46.39 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.612 179.661 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -138.08 88.64 15.24 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.687 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo . . . . . 0 C--O 1.249 1.07 0 C-N-CA 122.744 2.296 . . . . 0.0 111.954 179.473 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 ttt . . . . . 0 N--CA 1.485 1.284 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 92.3 mttt 61.52 42.26 11.54 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.488 0.661 . . . . 0.0 110.719 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.438 HG21 ' HB3' ' A' ' 7' ' ' PRO . 30.5 m -86.79 -175.0 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.847 -179.705 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 49.2 p-80 -66.18 160.5 24.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.8 179.685 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -59.28 123.23 16.05 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.653 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 65.0 mtt 64.97 76.61 0.31 Allowed Pre-proline 0 N--CA 1.467 0.39 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.471 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.438 ' HB3' HG21 ' A' ' 3' ' ' VAL . 29.3 Cg_endo -66.16 -44.67 6.76 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.325 2.017 . . . . 0.0 111.586 178.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -153.89 -176.47 5.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.592 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 105.83 10.42 30.57 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.501 -0.857 . . . . 0.0 112.188 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.2 t -82.5 103.25 9.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.855 0.36 . . . . 0.0 110.059 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.1 m -118.11 -3.37 10.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.698 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.434 HD13 ' HA ' ' A' ' 12' ' ' LEU . 3.6 mm? -81.96 62.15 5.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.158 0.504 . . . . 0.0 110.765 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 44.6 t -125.14 104.97 14.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.96 179.688 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 92.72 84.03 1.53 Allowed Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.121 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -63.03 -32.98 74.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.905 0.383 . . . . 0.0 110.541 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.98 -32.14 70.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.343 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 81.0 m95 -74.71 -37.31 62.63 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.824 0.345 . . . . 0.0 110.529 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -68.42 -48.95 63.27 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.968 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.2 tt -67.48 -29.7 46.43 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 -178.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -75.17 -40.3 59.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.765 0.317 . . . . 0.0 110.413 179.201 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.87 -47.4 78.01 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.82 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -67.03 -35.95 81.01 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.569 -178.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.6 mp -73.24 -33.07 65.1 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.816 0.341 . . . . 0.0 110.593 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.505 ' O ' ' HG3' ' A' ' 28' ' ' ARG . 20.4 ttmt -71.84 -40.43 69.07 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.56 179.634 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -66.18 -46.6 76.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.974 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -72.02 -24.3 61.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.226 0.536 . . . . 0.0 110.843 -179.594 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.35 15.83 62.04 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 121.02 -0.609 . . . . 0.0 112.425 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.505 ' HG3' ' O ' ' A' ' 24' ' ' LYS . 60.4 mtp180 -73.66 -74.37 0.18 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.888 0.375 . . . . 0.0 110.6 179.693 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -163.41 93.35 0.76 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.167 0.508 . . . . 0.0 110.927 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 62.17 -172.47 0.15 Allowed 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.586 -0.733 . . . . 0.0 111.355 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -90.18 0.22 57.29 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.098 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.494 ' O ' ' HB2' ' A' ' 36' ' ' TRP . 43.3 m-85 -61.31 -28.01 68.9 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.133 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.7 t -69.93 -47.74 67.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.074 0.464 . . . . 0.0 110.451 179.475 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.7 tppm? -69.37 -30.1 68.02 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.664 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -76.09 -35.22 59.46 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.089 0.471 . . . . 0.0 110.559 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.494 ' HB2' ' O ' ' A' ' 32' ' ' TYR . 1.3 t-105 -64.66 -48.16 75.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.948 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 31.4 pt -90.94 174.21 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.795 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.0 m -117.35 80.57 1.51 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.238 0.542 . . . . 0.0 110.242 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.439 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 47.5 tptt -125.94 112.54 24.47 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.755 -179.426 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 39' ' ' LYS . 6.2 Cg_exo . . . . . 0 C--O 1.252 1.224 0 C-N-CA 122.774 2.316 . . . . 0.0 111.765 178.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.8 ttp . . . . . 0 N--CA 1.483 1.179 0 CA-C-O 120.83 0.347 . . . . 0.0 110.402 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 13.4 mttp -120.72 109.1 14.78 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.875 0.369 . . . . 0.0 110.531 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.7 p -85.53 -20.45 8.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.283 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 4.0 m170 61.87 -166.23 0.22 Allowed 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.37 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -91.77 -33.34 15.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.035 0.445 . . . . 0.0 109.88 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 2.9 ttm -126.9 85.42 61.0 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.072 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -78.11 5.3 5.48 Favored 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 122.634 2.223 . . . . 0.0 112.679 -179.479 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.16 17.5 21.06 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.062 0.458 . . . . 0.0 110.519 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -76.63 46.21 2.26 Favored Glycine 0 CA--C 1.52 0.357 0 CA-C-N 116.002 -0.544 . . . . 0.0 112.911 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.2 m -126.96 11.8 3.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.463 0.649 . . . . 0.0 110.037 179.594 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.6 p -96.52 -6.03 9.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.494 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.1 mp -81.6 73.16 8.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.615 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.6 m -116.18 150.76 18.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.373 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.92 -36.93 2.5 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 121.062 -0.59 . . . . 0.0 112.689 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -87.48 27.93 1.04 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.845 0.355 . . . . 0.0 111.345 -179.552 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.442 ' O ' HG22 ' A' ' 19' ' ' ILE . . . -61.65 -32.59 72.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.282 0.563 . . . . 0.0 110.528 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 74.0 m95 -67.56 -36.0 80.11 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.587 179.39 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -77.54 -41.32 39.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.996 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.442 HG22 ' O ' ' A' ' 16' ' ' ALA . 12.5 tt -62.63 -35.77 71.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.106 -178.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.49 -27.23 56.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.991 0.424 . . . . 0.0 110.631 179.789 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.33 -45.23 26.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.033 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -71.12 -29.21 64.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.411 -179.339 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.4 mp -75.24 -37.2 61.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.704 -0.225 . . . . 0.0 110.844 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.7 mttt -72.92 -26.01 61.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.916 0.389 . . . . 0.0 110.445 179.473 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -78.47 -27.57 46.34 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.742 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -94.31 -37.85 11.29 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.952 -179.468 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -118.57 64.27 0.41 Allowed Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.334 -178.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.2 ptt180 -72.34 -22.95 61.09 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.831 0.348 . . . . 0.0 111.286 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.88 11.13 20.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.682 -179.193 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -80.44 52.19 1.58 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.262 0.553 . . . . 0.0 111.206 -179.204 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -117.5 -5.63 11.21 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.076 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -57.97 -51.42 69.72 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -178.677 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 57.6 t -62.42 -40.17 87.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.01 0.433 . . . . 0.0 110.948 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 21.2 mmmt -68.54 -34.3 75.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.399 -179.083 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -76.72 -35.05 58.07 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.009 -179.428 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 8.9 m0 -57.93 -47.44 82.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.637 179.711 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 18.7 pt -112.02 49.52 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.241 0.544 . . . . 0.0 110.861 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.9 p -72.74 -68.49 0.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.575 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.413 ' HA ' ' HD2' ' A' ' 40' ' ' PRO . 79.0 tttt 57.44 94.22 0.05 OUTLIER Pre-proline 0 CA--C 1.532 0.28 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.435 179.488 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 39' ' ' LYS . 29.3 Cg_endo . . . . . 0 C--O 1.251 1.167 0 C-N-CA 122.183 1.922 . . . . 0.0 111.94 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.759 0.314 . . . . 0.0 111.806 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.483 ' O ' ' HG2' ' A' ' 20' ' ' ARG . 31.7 t-105 -80.91 -29.32 35.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.91 0.386 . . . . 0.0 110.761 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -81.81 -42.39 19.75 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.57 -179.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.2 tt -63.5 -30.9 51.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.274 -178.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.483 ' HG2' ' O ' ' A' ' 17' ' ' TRP . 5.5 ptm180 -74.44 -27.86 60.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.818 0.342 . . . . 0.0 110.858 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.02 -45.96 19.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.186 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.2 tptm -63.38 -41.5 98.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.953 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.3 mp -71.97 -19.28 61.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.111 -179.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -83.24 -40.44 19.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.96 0.409 . . . . 0.0 110.622 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -70.19 -35.19 73.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.213 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 6.8 t80 . . . . . 0 C--N 1.328 -0.343 0 CA-C-O 120.778 0.323 . . . . 0.0 110.59 179.875 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.769 0.319 . . . . 0.0 111.273 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 60.3 t-105 -64.15 -42.33 96.82 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.96 179.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -71.39 -39.55 71.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.907 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 87.5 mt -60.91 -46.99 95.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.831 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -61.47 -39.94 92.71 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.796 0.331 . . . . 0.0 111.248 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.63 -45.57 71.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.4 ttpt -65.21 -40.24 93.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.217 -179.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.7 mp -66.34 -27.88 68.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.044 0.45 . . . . 0.0 110.81 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -76.47 -46.1 28.34 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.841 179.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -67.03 -43.64 82.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.039 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 6.5 t80 . . . . . 0 C--N 1.327 -0.403 0 CA-C-O 120.907 0.384 . . . . 0.0 111.1 -179.129 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.197 0 CA-C-O 120.905 0.384 . . . . 0.0 111.503 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 67.3 t90 -64.72 -44.92 88.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.307 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -60.58 -41.84 95.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.751 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.2 mt -61.79 -48.29 89.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.382 179.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.1 mtp-105 -59.94 -46.04 90.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.119 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.46 -45.21 91.9 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.651 -179.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.504 ' O ' ' HB2' ' A' ' 26' ' ' TYR . 50.3 tttm -67.49 -39.84 85.22 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.964 -179.195 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.8 mp -65.23 -37.8 88.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.217 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.1 ttpp -66.98 -42.02 85.79 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.348 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.51 -25.34 45.58 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.736 -0.386 . . . . 0.0 111.096 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.504 ' HB2' ' O ' ' A' ' 22' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 178.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.199 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.2 m-90 -67.64 -32.38 73.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.896 0.379 . . . . 0.0 110.358 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.421 ' OE1' ' HA ' ' A' ' 18' ' ' GLU . 32.3 tp10 -72.12 -37.72 69.43 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.813 179.321 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 37.3 mm -65.89 -42.79 92.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.705 178.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -44.09 97.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.187 179.392 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.45 -39.43 92.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.888 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 46.9 tptt -68.28 -43.62 77.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.145 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.4 mp -64.07 -33.82 76.62 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.074 0.464 . . . . 0.0 110.45 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -78.34 -20.01 52.25 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.153 0.501 . . . . 0.0 110.082 178.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -83.53 -43.72 15.43 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.514 179.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 38.4 t80 . . . . . 0 C--N 1.324 -0.505 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -178.841 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.649 0.261 . . . . 0.0 111.278 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -73.48 -37.45 65.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.591 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -64.25 -38.09 89.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.952 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 76.0 mt -62.19 -45.97 97.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.18 179.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -60.6 -42.33 96.53 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.158 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.24 -44.01 96.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.147 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -65.72 -44.57 85.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.957 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.2 mp -65.35 -34.3 78.01 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.926 -179.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -74.36 -38.1 63.29 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.776 0.322 . . . . 0.0 110.854 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -74.37 -40.7 61.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.311 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 61.1 t80 . . . . . 0 C--N 1.326 -0.416 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.33 -179.648 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.523 ' HA ' HG22 ' A' ' 19' ' ' ILE . . . . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.771 0.32 . . . . 0.0 111.432 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 88.5 m95 -66.41 -48.72 69.16 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.964 0.411 . . . . 0.0 110.581 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.97 -39.95 68.95 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.999 -178.514 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.523 HG22 ' HA ' ' A' ' 16' ' ' ALA . 14.6 tt -64.87 -38.17 82.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.467 -178.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -72.26 -38.23 68.92 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.045 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.93 -40.39 83.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.978 0.418 . . . . 0.0 110.422 179.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.5 ttpt -67.56 -46.0 73.97 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.459 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.0 mp -63.46 -37.83 88.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.666 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -72.94 -20.81 60.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.758 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.94 -38.92 31.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.788 0.328 . . . . 0.0 110.594 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 . . . . . 0 C--N 1.325 -0.488 0 CA-C-O 120.868 0.366 . . . . 0.0 111.115 179.992 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.207 0 CA-C-O 120.446 0.165 . . . . 0.0 111.331 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 39.5 t-105 -68.82 -44.46 73.46 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.029 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -68.46 -33.13 73.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.924 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.3 mm -63.13 -39.98 87.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.506 178.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.3 ttt180 -62.93 -41.6 99.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.953 179.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.2 -46.17 78.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.831 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -60.66 -40.36 91.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.035 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.8 mp -65.46 -34.13 77.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.356 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.3 mmtp -79.46 -27.95 41.58 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.938 0.399 . . . . 0.0 111.425 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -80.31 -38.33 30.89 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.024 -179.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.0 t80 . . . . . 0 C--N 1.325 -0.458 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.69 -179.437 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.035 0 CA-C-O 121.123 0.487 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 21.9 m-90 -72.53 -24.43 61.14 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.451 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -74.9 -48.72 23.26 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.12 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.468 ' O ' ' HB2' ' A' ' 23' ' ' LEU . 8.0 tp -66.15 -31.47 53.8 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.984 -179.619 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -67.48 -42.68 82.55 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-O 121.034 0.445 . . . . 0.0 110.276 178.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.59 -43.08 73.51 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.56 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -64.59 -41.86 95.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.181 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.468 ' HB2' ' O ' ' A' ' 19' ' ' ILE . 1.0 OUTLIER -67.71 -32.99 74.01 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.158 -179.309 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -69.73 -37.74 76.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.869 0.366 . . . . 0.0 111.186 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -74.06 -33.75 63.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.22 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 33.7 t80 . . . . . 0 C--N 1.323 -0.548 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.73 179.964 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 120.853 0.358 . . . . 0.0 111.371 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 7.7 t90 -82.32 -34.16 28.68 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.035 0.445 . . . . 0.0 109.98 179.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -69.64 -44.9 69.66 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.734 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.1 tp -65.08 -34.26 69.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.024 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.44 ' HG3' ' N ' ' A' ' 21' ' ' ALA . 0.5 OUTLIER -71.21 -32.0 68.28 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 121.053 -0.259 . . . . 0.0 110.511 179.894 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.44 ' N ' ' HG3' ' A' ' 20' ' ' ARG . . . -70.95 -42.0 70.37 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.096 0.474 . . . . 0.0 110.276 179.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 50.3 tttp -69.16 -30.47 68.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.233 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.0 mp -82.71 -19.2 38.48 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.867 179.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.2 ttmt -84.14 -29.92 26.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.759 0.314 . . . . 0.0 111.027 -179.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 21' ' ' ALA . 6.3 pt-20 -79.86 -41.7 25.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.864 0.364 . . . . 0.0 110.572 179.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 54.5 t80 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.824 179.869 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.115 0 CA-C-O 120.711 0.291 . . . . 0.0 111.398 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 65.4 t90 -66.46 -40.01 89.16 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.994 0.426 . . . . 0.0 110.065 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -64.34 -44.25 92.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.965 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.2 tp -72.31 -32.45 42.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.158 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -64.92 -44.04 90.82 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.53 -33.88 76.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.646 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -70.16 -45.97 65.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.478 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.1 mp -65.4 -31.57 72.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.943 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.8 ttpt -81.74 -15.1 55.44 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.234 0.54 . . . . 0.0 110.425 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -90.45 -42.78 10.68 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.109 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 55.1 t80 . . . . . 0 C--N 1.324 -0.503 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.317 -179.357 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.142 0 CA-C-O 120.803 0.335 . . . . 0.0 111.448 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 55.8 m95 -69.58 -45.98 67.4 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.443 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -64.4 -44.83 90.07 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.833 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.1 tt -66.74 -34.85 72.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.958 -179.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -73.25 -34.4 65.82 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.989 -0.285 . . . . 0.0 110.345 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.07 -42.19 85.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.146 0.498 . . . . 0.0 109.673 178.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -64.84 -42.72 94.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.146 179.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 mp -62.19 -36.82 83.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.492 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.7 ttpt -69.67 -34.49 74.04 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.718 179.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -75.66 -41.01 55.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.842 0.353 . . . . 0.0 110.773 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 43.2 t80 . . . . . 0 C--N 1.325 -0.473 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.745 -178.971 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.505 0.193 . . . . 0.0 111.395 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -62.87 -43.56 98.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.863 0.364 . . . . 0.0 110.076 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -61.63 -42.3 98.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.341 179.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.61 -46.51 96.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.723 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 59.3 mtt-85 -62.39 -41.25 98.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.043 -179.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.11 -36.35 81.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.105 0.479 . . . . 0.0 111.058 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -73.55 -42.81 61.19 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.627 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.1 mp -63.52 -41.24 98.51 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.077 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -70.27 -22.96 62.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.081 0.467 . . . . 0.0 110.749 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -80.67 -46.52 15.45 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.28 179.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.0 t80 . . . . . 0 C--N 1.325 -0.473 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.608 -178.791 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.164 0 CA-C-O 120.788 0.328 . . . . 0.0 111.539 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 72.0 m95 -69.71 -31.02 68.8 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.937 0.399 . . . . 0.0 110.388 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -67.18 -46.43 73.98 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.959 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.6 tt -70.01 -34.38 59.44 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-O 120.907 0.384 . . . . 0.0 110.341 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 42.3 mtt180 -65.42 -46.86 78.3 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.459 179.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.55 -46.68 86.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.317 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -61.88 -44.48 96.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.996 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.5 mp -66.42 -30.28 70.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.711 0.291 . . . . 0.0 111.609 -179.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -79.88 -31.53 40.32 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.093 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -84.33 -37.96 20.95 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.296 -179.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 80.7 t80 . . . . . 0 C--N 1.323 -0.55 0 CA-C-O 120.98 0.419 . . . . 0.0 110.904 -179.736 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.224 0 CA-C-O 121.083 0.468 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 62.8 t-105 -80.46 -41.27 24.72 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.823 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -71.17 -40.33 71.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.581 -0.736 . . . . 0.0 112.027 -179.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 15.0 tt -61.69 -39.09 82.02 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.123 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.507 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.2 mtp85 -68.85 -37.89 79.41 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.265 179.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.08 -35.91 80.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.66 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 44.3 tptt -74.61 -40.47 61.53 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.227 179.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.9 mp -62.97 -39.45 94.73 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.949 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.0 pttt -78.85 -16.2 57.38 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.473 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -79.35 -47.5 15.69 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.938 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 12.6 t80 . . . . . 0 C--N 1.329 -0.307 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.397 -179.34 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.159 0 CA-C-O 121.198 0.523 . . . . 0.0 109.809 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 12.8 m95 -78.44 -36.13 45.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.864 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -66.73 -45.3 79.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.899 -179.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.3 tp -62.53 -35.67 71.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.138 -179.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 40.8 ttt180 -72.7 -41.9 64.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.851 0.358 . . . . 0.0 110.382 179.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.609 ' O ' ' HG3' ' A' ' 24' ' ' LYS . . . -67.56 -39.96 84.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.766 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.4 ttmt -65.92 -38.0 87.54 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.407 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.9 mp -72.06 -25.49 61.8 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.976 -179.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.609 ' HG3' ' O ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -87.93 -19.6 27.06 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.547 -0.461 . . . . 0.0 111.073 179.454 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -89.15 -39.57 13.49 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.879 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 22.3 t80 . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.752 -179.471 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.68 0.276 . . . . 0.0 111.59 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 4.4 t-105 -72.05 -43.93 64.13 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.818 0.342 . . . . 0.0 110.375 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -66.83 -36.31 82.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.497 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 47.5 mm -58.3 -42.57 84.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.551 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.4 ttt-85 -64.45 -41.59 96.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.349 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.43 -46.39 86.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.365 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -63.13 -40.78 98.59 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.681 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.5 mp -63.41 -35.13 79.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.611 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.0 tppt? -74.58 -33.45 62.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.583 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -66.96 -44.7 79.85 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.843 0.354 . . . . 0.0 110.963 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 18.7 t80 . . . . . 0 C--N 1.325 -0.479 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.626 -179.612 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.966 0.412 . . . . 0.0 110.489 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 48.4 t-105 -66.13 -35.7 81.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.95 179.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -63.95 -49.9 70.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.051 179.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.2 mt -61.39 -40.03 84.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.833 179.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 20' ' ' ARG . 0.8 OUTLIER -59.98 -50.9 71.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.393 179.407 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.473 ' O ' ' HG2' ' A' ' 25' ' ' GLU . . . -63.96 -41.61 97.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.604 -179.63 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -60.51 -43.97 96.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.735 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.8 mp -74.19 -27.27 60.72 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.471 -178.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.433 ' HA ' ' HD3' ' A' ' 24' ' ' LYS . 30.7 mmtp -78.52 -21.11 49.33 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 121.012 -0.275 . . . . 0.0 111.552 -179.652 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' A' ' 21' ' ' ALA . 10.1 pt-20 -95.62 -19.39 19.79 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.267 178.278 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.5 t80 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.274 179.327 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.586 ' O ' ' HB2' ' A' ' 20' ' ' ARG . . . . . . . . 0 CA--C 1.518 -0.265 0 CA-C-O 120.625 0.25 . . . . 0.0 111.253 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -68.79 -41.27 78.95 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.996 0.427 . . . . 0.0 110.569 179.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -67.4 -46.87 71.98 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.343 -179.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.532 ' O ' ' HB2' ' A' ' 23' ' ' LEU . 10.9 tp -69.69 -28.71 38.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.819 0.342 . . . . 0.0 110.861 -178.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.586 ' HB2' ' O ' ' A' ' 16' ' ' ALA . 0.1 OUTLIER -75.15 -40.11 59.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.818 0.342 . . . . 0.0 110.282 179.756 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.38 -45.9 68.22 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.79 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.406 ' HD2' ' HA ' ' A' ' 22' ' ' LYS . 19.6 tptm -66.41 -34.43 77.93 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.336 -179.142 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.532 ' HB2' ' O ' ' A' ' 19' ' ' ILE . 1.0 OUTLIER -69.58 -43.5 72.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.281 -179.611 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.9 pttt -77.98 -11.27 59.89 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.726 -179.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.69 -42.98 27.04 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.791 179.176 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.164 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 120.606 0.241 . . . . 0.0 111.343 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 81.0 m95 -74.71 -37.31 62.63 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.824 0.345 . . . . 0.0 110.529 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -68.42 -48.95 63.27 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.968 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.2 tt -67.48 -29.7 46.43 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 -178.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -75.17 -40.3 59.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.765 0.317 . . . . 0.0 110.413 179.201 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.87 -47.4 78.01 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.82 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -67.03 -35.95 81.01 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.569 -178.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.6 mp -73.24 -33.07 65.1 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.816 0.341 . . . . 0.0 110.593 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.4 ttmt -71.84 -40.43 69.07 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.56 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -66.18 -46.6 76.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.974 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 25.4 t80 . . . . . 0 C--N 1.327 -0.386 0 CA-C-O 121.226 0.536 . . . . 0.0 110.843 -179.594 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.442 ' O ' HG22 ' A' ' 19' ' ' ILE . . . . . . . . 0 CA--C 1.522 -0.112 0 CA-C-O 121.282 0.563 . . . . 0.0 110.528 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 74.0 m95 -67.56 -36.0 80.11 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.587 179.39 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -77.54 -41.32 39.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.996 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.442 HG22 ' O ' ' A' ' 16' ' ' ALA . 12.5 tt -62.63 -35.77 71.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.106 -178.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.49 -27.23 56.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.991 0.424 . . . . 0.0 110.631 179.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.33 -45.23 26.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.033 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -71.12 -29.21 64.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.411 -179.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.4 mp -75.24 -37.2 61.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.704 -0.225 . . . . 0.0 110.844 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.7 mttt -72.92 -26.01 61.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.916 0.389 . . . . 0.0 110.445 179.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -78.47 -27.57 46.34 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.742 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 12.5 t80 . . . . . 0 C--N 1.325 -0.467 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.952 -179.468 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.2 mmt . . . . . 0 N--CA 1.481 1.098 0 CA-C-O 120.854 0.359 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -88.77 -25.41 22.28 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.21 0.529 . . . . 0.0 110.048 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.1 p -132.2 164.32 35.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.261 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -88.89 153.77 20.78 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 179.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 70.4 mtm-85 -58.43 -42.64 87.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.021 0.439 . . . . 0.0 110.203 179.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.505 ' O ' ' HG2' ' A' ' 6' ' ' MET . 0.0 OUTLIER -128.2 87.28 55.82 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.468 0.651 . . . . 0.0 109.691 178.535 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_endo -85.4 169.03 9.87 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 C-N-CA 123.029 2.486 . . . . 0.0 112.087 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.4 ttmt -111.03 -150.19 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 111.84 -95.6 0.82 Allowed Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.436 -0.887 . . . . 0.0 111.2 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 31.5 t -101.44 97.2 5.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.5 p -135.86 149.9 28.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.79 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 76.7 mt -115.67 112.49 22.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.217 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.1 m -96.16 107.11 19.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.166 0.508 . . . . 0.0 110.971 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -156.33 -147.33 4.72 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.339 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.1 tptp -92.19 -0.03 57.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.586 0.232 . . . . 0.0 111.358 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.34 -28.35 68.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.806 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.483 ' O ' ' HG2' ' A' ' 20' ' ' ARG . 31.7 t-105 -80.91 -29.32 35.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.91 0.386 . . . . 0.0 110.761 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -81.81 -42.39 19.75 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.57 -179.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.2 tt -63.5 -30.9 51.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.274 -178.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.483 ' HG2' ' O ' ' A' ' 17' ' ' TRP . 5.5 ptm180 -74.44 -27.86 60.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.818 0.342 . . . . 0.0 110.858 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.02 -45.96 19.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.186 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.2 tptm -63.38 -41.5 98.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.953 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.3 mp -71.97 -19.28 61.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.111 -179.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -83.24 -40.44 19.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.96 0.409 . . . . 0.0 110.622 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -70.19 -35.19 73.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.213 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -86.13 -35.05 20.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.778 0.323 . . . . 0.0 110.59 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -84.5 47.53 3.87 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 121.249 -0.5 . . . . 0.0 112.663 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.1 ttm180 -107.53 104.43 13.98 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.74 111.72 3.85 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.012 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -94.57 72.48 3.7 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.28 0.562 . . . . 0.0 110.987 -178.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -99.76 -4.72 30.0 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.028 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -56.57 -41.88 77.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.664 -179.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.4 t -67.48 -42.19 86.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.149 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -64.86 -38.29 90.49 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.058 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -80.42 -8.89 59.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.064 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.53 -36.59 15.27 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.398 -179.398 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.0 tt -79.55 105.21 8.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.4 0.619 . . . . 0.0 111.069 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 m -97.6 101.61 13.17 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.373 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.7 tptm -130.95 101.25 16.76 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.806 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo . . . . . 0 C--O 1.247 0.949 0 C-N-CA 122.617 2.211 . . . . 0.0 111.939 179.596 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.6 mtm . . . . . 0 N--CA 1.483 1.198 0 CA-C-O 120.88 0.371 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -86.58 -54.14 4.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.769 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.9 m -84.26 139.94 16.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.394 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 13.1 p80 -165.02 151.7 10.53 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.301 -179.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.0 ttt180 66.3 74.38 0.35 Allowed 'General case' 0 C--N 1.333 -0.136 0 O-C-N 123.7 0.625 . . . . 0.0 110.585 179.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 49.1 mtt 62.82 83.12 0.21 Allowed Pre-proline 0 N--CA 1.465 0.3 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.781 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -68.64 -170.66 0.33 Allowed 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 122.846 2.364 . . . . 0.0 112.215 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.8 ptmm? -132.58 89.97 2.72 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.156 0.503 . . . . 0.0 110.825 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.77 109.71 1.98 Allowed Glycine 0 N--CA 1.448 -0.555 0 N-CA-C 111.327 -0.709 . . . . 0.0 111.327 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.4 t 51.76 56.78 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-O 121.556 0.693 . . . . 0.0 110.445 -179.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 22.1 m -116.1 13.75 7.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.368 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.8 mp -87.15 53.69 2.91 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.006 0.432 . . . . 0.0 110.296 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.4 t -117.62 -70.47 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.586 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -155.79 63.88 0.33 Allowed Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 121.136 -0.555 . . . . 0.0 112.02 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.1 tttm -69.53 -29.01 66.52 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.728 0.299 . . . . 0.0 110.891 -179.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.92 -31.43 68.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.273 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 60.3 t-105 -64.15 -42.33 96.82 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.96 179.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -71.39 -39.55 71.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.907 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 87.5 mt -60.91 -46.99 95.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.831 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -61.47 -39.94 92.71 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.796 0.331 . . . . 0.0 111.248 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.63 -45.57 71.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.4 ttpt -65.21 -40.24 93.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.217 -179.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.7 mp -66.34 -27.88 68.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.044 0.45 . . . . 0.0 110.81 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.538 ' HE3' ' OH ' ' A' ' 32' ' ' TYR . 37.8 ttpt -76.47 -46.1 28.34 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.841 179.209 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -67.03 -43.64 82.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.039 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -83.26 -2.96 56.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.907 0.384 . . . . 0.0 111.1 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -104.58 -46.13 1.34 Allowed Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.482 -0.866 . . . . 0.0 112.139 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.7 mmm-85 -87.26 64.27 8.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 122.588 -0.36 . . . . 0.0 110.491 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -58.5 -75.24 0.05 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.178 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 53.4 p90 -94.89 -6.74 41.97 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.363 0.601 . . . . 0.0 110.016 179.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 61.1 tp60 -71.62 -25.68 62.26 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.64 -178.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.538 ' OH ' ' HE3' ' A' ' 24' ' ' LYS . 0.5 OUTLIER -61.13 -44.77 96.81 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 121.087 -0.245 . . . . 0.0 111.359 -179.457 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 20.9 m -74.57 -10.4 13.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.89 0.376 . . . . 0.0 111.191 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 37.5 tttm -91.79 -31.92 15.57 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.415 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -89.87 -32.96 16.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.066 0.46 . . . . 0.0 110.604 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -85.67 91.27 8.24 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.939 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.3 pt -133.31 21.42 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.212 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -104.38 106.81 17.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.589 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 46.2 tttp -112.48 128.31 25.71 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.568 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo . . . . . 0 C--O 1.254 1.323 0 C-N-CA 122.466 2.111 . . . . 0.0 112.84 -179.794 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.2 ttp . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 52.4 mttm -125.35 172.57 9.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.743 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.9 p -67.18 124.49 22.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.242 0.544 . . . . 0.0 110.252 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 -148.73 -26.37 0.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.406 -179.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.523 ' HA ' ' NE ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -68.07 -53.29 26.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.843 0.354 . . . . 0.0 110.673 -179.695 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 8.1 ptp -149.14 89.76 4.82 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.304 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -73.96 -27.81 11.77 Favored 'Trans proline' 0 CA--C 1.528 0.177 0 C-N-CA 122.72 2.28 . . . . 0.0 112.208 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -143.53 174.57 10.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.162 179.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -148.51 123.36 1.65 Allowed Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.978 -0.629 . . . . 0.0 111.741 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.7 t -94.57 101.27 12.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.3 m -122.6 148.05 26.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.954 0.407 . . . . 0.0 110.946 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.8 tp -82.82 75.31 9.73 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.313 0.578 . . . . 0.0 110.145 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.3 m -111.17 25.78 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.452 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 130.16 -150.49 19.15 Favored Glycine 0 N--CA 1.444 -0.792 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.793 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -90.29 33.56 0.89 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.732 0.301 . . . . 0.0 111.044 -179.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.95 -42.17 72.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.503 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 67.3 t90 -64.72 -44.92 88.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.307 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -60.58 -41.84 95.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.751 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.2 mt -61.79 -48.29 89.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.382 179.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.1 mtp-105 -59.94 -46.04 90.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.119 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.46 -45.21 91.9 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.651 -179.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.504 ' O ' ' HB2' ' A' ' 26' ' ' TYR . 50.3 tttm -67.49 -39.84 85.22 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.964 -179.195 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.8 mp -65.23 -37.8 88.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.217 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.1 ttpp -66.98 -42.02 85.79 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.348 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.51 -25.34 45.58 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.736 -0.386 . . . . 0.0 111.096 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.504 ' HB2' ' O ' ' A' ' 22' ' ' LYS . 1.0 OUTLIER -77.08 -36.32 55.89 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 178.685 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -105.07 48.13 1.0 Allowed Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 115.469 -0.787 . . . . 0.0 112.006 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.6 ttm180 -71.07 95.74 1.25 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.005 0.431 . . . . 0.0 110.68 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.12 -56.08 13.25 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.983 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -132.11 129.83 40.41 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.069 0.461 . . . . 0.0 111.168 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.56 -26.39 26.19 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.017 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.404 ' O ' ' HB2' ' A' ' 36' ' ' TRP . 34.2 t80 -62.48 -44.26 96.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.406 -179.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.4 t -68.0 -23.97 29.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.24 0.543 . . . . 0.0 110.759 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -75.05 -37.97 61.51 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.112 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -89.25 -21.31 23.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.518 -179.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.404 ' HB2' ' O ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -80.5 78.95 7.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.132 0.491 . . . . 0.0 110.775 -179.862 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 18.2 pt -122.24 -18.46 4.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.851 -179.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.441 ' O ' ' HB3' ' A' ' 39' ' ' LYS . 70.1 m -95.63 -39.41 9.93 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.667 -0.242 . . . . 0.0 111.568 -179.365 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.441 ' HB3' ' O ' ' A' ' 38' ' ' SER . 72.5 tttt 68.82 94.69 0.05 OUTLIER Pre-proline 0 N--CA 1.464 0.236 0 O-C-N 123.555 0.534 . . . . 0.0 109.861 -179.344 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo . . . . . 0 C--O 1.253 1.252 0 C-N-CA 122.705 2.27 . . . . 0.0 112.314 -179.476 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.8 ptp . . . . . 0 N--CA 1.481 1.119 0 CA-C-O 120.507 0.194 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.5 pttm -166.65 146.01 5.61 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.4 p -90.19 -46.13 14.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.67 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -164.24 165.55 21.83 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 29.8 ttm180 -77.31 -23.73 51.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.269 0.557 . . . . 0.0 109.81 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -138.15 69.7 48.59 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.345 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -94.96 13.83 1.33 Allowed 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 123.136 2.557 . . . . 0.0 112.795 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.1 ptmt -107.61 104.21 13.69 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.012 -179.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -86.84 79.71 1.8 Allowed Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.874 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 13.7 m -85.31 150.92 3.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 110.434 -0.21 . . . . 0.0 110.434 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.7 p -157.73 147.32 9.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.559 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -100.6 172.81 6.87 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.4 m -97.91 75.09 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.387 0.613 . . . . 0.0 110.932 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 173.66 160.95 22.99 Favored Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.85 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.425 ' O ' HG12 ' A' ' 19' ' ' ILE . 82.6 mttt 64.55 50.88 2.08 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 121.32 0.581 . . . . 0.0 110.112 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.9 -40.84 85.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.303 -0.862 . . . . 0.0 112.214 -178.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.2 m-90 -67.64 -32.38 73.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.896 0.379 . . . . 0.0 110.358 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.421 ' OE1' ' HA ' ' A' ' 18' ' ' GLU . 32.3 tp10 -72.12 -37.72 69.43 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.813 179.321 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.425 HG12 ' O ' ' A' ' 15' ' ' LYS . 37.3 mm -65.89 -42.79 92.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.705 178.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -44.09 97.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.187 179.392 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.45 -39.43 92.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.888 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 46.9 tptt -68.28 -43.62 77.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.145 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.4 mp -64.07 -33.82 76.62 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.074 0.464 . . . . 0.0 110.45 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -78.34 -20.01 52.25 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.153 0.501 . . . . 0.0 110.082 178.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -83.53 -43.72 15.43 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.514 179.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -86.84 -32.96 19.99 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -178.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -101.14 -55.15 0.93 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.351 -0.928 . . . . 0.0 112.934 -178.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.8 ttp180 62.32 39.76 11.99 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 121.244 0.545 . . . . 0.0 110.79 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.3 m -75.6 106.34 7.1 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.423 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -81.83 74.13 8.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.101 0.476 . . . . 0.0 110.455 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -77.92 -26.49 49.04 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.066 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -57.77 -43.18 85.33 Favored 'General case' 0 C--O 1.225 -0.235 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.928 -179.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.5 m -73.26 -7.87 10.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.892 0.377 . . . . 0.0 111.673 -179.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 40.5 mttt -94.56 -43.83 8.13 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 178.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -76.46 -32.45 58.4 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.777 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 5.0 m95 -113.23 119.04 36.36 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.887 179.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 42.5 mm -81.03 78.36 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.3 m 66.9 -175.29 0.19 Allowed 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.582 -179.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.428 ' HD2' ' HA ' ' A' ' 39' ' ' LYS . 7.7 mmmm -118.39 93.05 44.66 Favored Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 122.166 -0.334 . . . . 0.0 110.655 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo . . . . . 0 C--O 1.248 0.99 0 C-N-CA 122.877 2.385 . . . . 0.0 111.779 179.311 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.2 mtt . . . . . 0 N--CA 1.477 0.89 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.5 tmtp? -103.46 -32.95 9.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.859 0.361 . . . . 0.0 110.765 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.3 p -76.75 122.31 30.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.988 0.423 . . . . 0.0 110.433 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -104.17 -34.75 8.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.542 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.402 ' HA ' ' NE ' ' A' ' 5' ' ' ARG . 1.7 tpm_? -160.2 -54.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.516 179.435 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -104.41 106.97 56.36 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.642 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -81.28 70.67 7.32 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 122.753 2.302 . . . . 0.0 111.914 179.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -70.53 122.29 19.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.891 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -110.96 13.23 29.23 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.6 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.4 m -120.04 140.03 45.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.792 0.329 . . . . 0.0 110.904 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.2 p -131.69 -10.99 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.375 0.607 . . . . 0.0 110.198 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.734 ' HG ' HG23 ' A' ' 13' ' ' VAL . 32.9 tp -135.0 138.91 44.43 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.036 -179.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.734 HG23 ' HG ' ' A' ' 12' ' ' LEU . 2.5 t 61.46 51.38 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-O 121.518 0.675 . . . . 0.0 110.27 -179.621 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.59 40.34 1.47 Allowed Glycine 0 N--CA 1.451 -0.329 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.862 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.9 tttt -75.31 -19.76 59.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.893 0.377 . . . . 0.0 111.037 -179.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.78 -30.49 68.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.278 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -73.48 -37.45 65.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.591 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -64.25 -38.09 89.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.952 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 76.0 mt -62.19 -45.97 97.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.18 179.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -60.6 -42.33 96.53 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.158 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.24 -44.01 96.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.147 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -65.72 -44.57 85.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.957 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.2 mp -65.35 -34.3 78.01 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.926 -179.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -74.36 -38.1 63.29 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.776 0.322 . . . . 0.0 110.854 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -74.37 -40.7 61.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.311 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -77.01 -32.91 57.49 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.33 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -90.18 -81.91 1.36 Allowed Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.379 -0.915 . . . . 0.0 112.262 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' A' ' 28' ' ' ARG . 1.9 ttm180 63.62 26.37 14.61 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 122.693 0.397 . . . . 0.0 111.536 179.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.5 t -87.85 -12.9 43.54 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.983 0.421 . . . . 0.0 110.606 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.9 p90 -110.16 141.9 42.44 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.445 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -120.14 8.57 10.96 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.138 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -57.8 -47.8 81.55 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.894 0.378 . . . . 0.0 111.331 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.3 p -76.38 -5.14 6.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.278 0.561 . . . . 0.0 111.206 -179.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 32.4 tttt -92.63 -36.45 12.97 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.234 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -84.71 -37.89 20.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.579 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 66.7 t90 -97.07 107.68 20.26 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.675 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 61.4 mt -119.28 113.0 39.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.189 0.519 . . . . 0.0 110.984 -179.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.489 ' O ' ' HD3' ' A' ' 40' ' ' PRO . 68.1 m -155.09 165.62 36.14 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.525 179.396 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -104.29 101.0 24.22 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-O 120.882 0.372 . . . . 0.0 110.405 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.489 ' HD3' ' O ' ' A' ' 38' ' ' SER . 58.7 Cg_endo . . . . . 0 N--CA 1.448 -1.161 0 C-N-CA 123.204 2.603 . . . . 0.0 112.087 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.478 0.963 0 CA-C-O 121.061 0.457 . . . . 0.0 110.429 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 37.9 mtpt -130.97 176.3 8.35 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.285 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.5 p -86.97 157.96 3.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.024 179.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -77.09 166.25 23.52 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.737 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? -55.19 -55.51 30.41 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.293 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 34.4 ttm -126.83 88.48 54.31 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.604 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_exo -66.67 -31.92 39.22 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.815 2.343 . . . . 0.0 111.314 179.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.5 tmtm? -135.46 114.01 11.71 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.454 179.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.5 146.58 20.18 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.688 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 29.8 m -102.33 10.88 8.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.316 0.579 . . . . 0.0 110.034 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.5 p -148.27 141.44 18.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.63 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.3 mp -131.93 65.0 1.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.079 0.466 . . . . 0.0 110.432 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.5 m -98.23 33.85 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.958 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -149.87 155.1 26.09 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.744 -0.741 . . . . 0.0 111.846 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -66.44 -39.46 88.92 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.552 0.215 . . . . 0.0 111.357 -179.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.523 ' HA ' HG22 ' A' ' 19' ' ' ILE . . . -60.71 -35.49 76.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.432 -179.151 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 88.5 m95 -66.41 -48.72 69.16 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.964 0.411 . . . . 0.0 110.581 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.97 -39.95 68.95 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.999 -178.514 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.523 HG22 ' HA ' ' A' ' 16' ' ' ALA . 14.6 tt -64.87 -38.17 82.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.467 -178.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -72.26 -38.23 68.92 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.045 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.93 -40.39 83.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.978 0.418 . . . . 0.0 110.422 179.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.5 ttpt -67.56 -46.0 73.97 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.459 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.0 mp -63.46 -37.83 88.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.666 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -72.94 -20.81 60.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.758 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.94 -38.92 31.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.788 0.328 . . . . 0.0 110.594 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -87.53 -35.4 18.18 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.868 0.366 . . . . 0.0 111.115 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -101.58 56.1 0.72 Allowed Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.851 -0.69 . . . . 0.0 111.573 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -64.44 -40.56 95.98 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.869 0.366 . . . . 0.0 111.406 -179.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -132.62 12.51 4.46 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.138 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -60.9 107.07 0.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.11 -179.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.6 mm-40 67.45 9.36 6.96 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.694 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -69.45 -30.35 68.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.079 0.466 . . . . 0.0 110.149 -179.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.411 ' O ' HG12 ' A' ' 37' ' ' ILE . 19.0 t -66.29 -48.12 82.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.075 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 47.8 mtpt -68.53 -23.31 64.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.792 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -72.63 -20.37 61.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.448 0.642 . . . . 0.0 110.052 179.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -94.02 -47.96 6.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.804 179.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.411 HG12 ' O ' ' A' ' 33' ' ' VAL . 16.0 pt -96.06 51.19 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.285 0.564 . . . . 0.0 111.023 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.2 m -77.07 81.41 3.59 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.711 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -162.55 77.15 1.98 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.196 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo . . . . . 0 C--O 1.248 0.991 0 C-N-CA 123.191 2.594 . . . . 0.0 112.412 -179.879 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 pmm? . . . . . 0 N--CA 1.48 1.06 0 CA-C-O 120.943 0.401 . . . . 0.0 110.589 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.7 mmmt -141.24 -61.41 0.48 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.166 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.7 p -155.6 113.58 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.193 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 4.1 t-160 -146.87 25.88 1.14 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.317 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 17.5 mtp180 -112.73 -87.7 0.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.652 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 9.3 mmt -118.67 83.95 23.45 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 120.863 0.363 . . . . 0.0 110.456 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -88.47 154.06 6.5 Favored 'Trans proline' 0 N--CA 1.453 -0.866 0 C-N-CA 122.73 2.286 . . . . 0.0 112.299 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -97.52 61.78 1.66 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.335 0.588 . . . . 0.0 109.83 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -88.74 78.05 1.74 Allowed Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.09 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.7 t -80.94 65.94 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.432 0.634 . . . . 0.0 110.417 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.9 m -120.05 17.3 6.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.946 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.0 mt 66.61 -167.7 0.21 Allowed 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.723 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.401 HG23 ' H ' ' A' ' 14' ' ' GLY . 1.7 m -126.71 -54.73 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.047 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.401 ' H ' HG23 ' A' ' 13' ' ' VAL . . . 61.25 -123.34 32.08 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.204 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.494 ' O ' HG12 ' A' ' 19' ' ' ILE . 5.9 tmtp? -68.84 -26.14 65.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.697 0.284 . . . . 0.0 110.921 -179.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.16 -24.17 67.03 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.331 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.4 ' HB2' ' HB ' ' A' ' 13' ' ' VAL . 39.5 t-105 -68.82 -44.46 73.46 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.029 179.631 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -68.46 -33.13 73.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.924 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.494 HG12 ' O ' ' A' ' 15' ' ' LYS . 38.3 mm -63.13 -39.98 87.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.506 178.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.3 ttt180 -62.93 -41.6 99.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.953 179.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.2 -46.17 78.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.831 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -60.66 -40.36 91.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.035 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.8 mp -65.46 -34.13 77.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.356 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.506 ' HD3' ' OE1' ' A' ' 31' ' ' GLN . 21.3 mmtp -79.46 -27.95 41.58 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.938 0.399 . . . . 0.0 111.425 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -80.31 -38.33 30.89 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.024 -179.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -87.55 -35.31 18.21 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.69 -179.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -87.22 -87.73 1.08 Allowed Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.33 -0.938 . . . . 0.0 112.686 -178.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 63.76 20.79 12.4 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 123.024 0.53 . . . . 0.0 111.587 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.09 111.68 8.43 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.052 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 57.9 55.11 5.57 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.258 0.551 . . . . 0.0 110.678 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.545 ' CA ' HE21 ' A' ' 31' ' ' GLN . 0.0 OUTLIER -87.64 -12.39 45.64 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.812 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -63.01 -39.68 95.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.016 0.436 . . . . 0.0 110.633 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 19.4 m -77.55 -8.38 11.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.999 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.409 ' O ' ' HB3' ' A' ' 38' ' ' SER . 35.3 tptt -88.75 -23.32 22.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.134 0.492 . . . . 0.0 109.836 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -98.24 -22.02 16.37 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.327 178.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 43.6 t-105 -81.88 106.37 13.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.274 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.3 mt 54.8 63.51 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-O 121.532 0.682 . . . . 0.0 110.685 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.409 ' HB3' ' O ' ' A' ' 34' ' ' LYS . 0.1 OUTLIER -84.21 75.55 10.18 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.482 -179.896 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -119.3 102.58 48.19 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.658 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo . . . . . 0 C--O 1.249 1.06 0 C-N-CA 122.927 2.418 . . . . 0.0 111.529 179.129 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 mmt . . . . . 0 N--CA 1.481 1.091 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -69.2 -54.98 12.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.919 0.39 . . . . 0.0 110.217 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.6 p -80.5 133.83 28.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.31 0.576 . . . . 0.0 110.127 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -97.99 51.18 1.03 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.498 0.666 . . . . 0.0 110.314 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.31 26.95 16.47 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 114.421 -1.263 . . . . 0.0 111.999 179.279 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 12.9 ttt -164.02 94.93 1.01 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.433 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -86.72 104.9 0.67 Allowed 'Trans proline' 0 N--CA 1.455 -0.762 0 C-N-CA 122.952 2.435 . . . . 0.0 112.235 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -94.91 147.95 22.83 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.451 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 125.0 65.79 0.19 Allowed Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.837 -179.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 38.1 t -90.61 103.21 14.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.935 0.397 . . . . 0.0 111.29 -179.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.9 m -116.17 15.71 7.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.422 0.629 . . . . 0.0 110.135 179.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 31.4 mt -79.98 122.05 26.24 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.97 -179.159 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 20.2 t -79.36 135.91 24.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.442 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 133.18 -52.17 0.83 Allowed Glycine 0 N--CA 1.448 -0.55 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.923 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.2 pttt -103.42 25.96 8.99 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.139 0.495 . . . . 0.0 110.692 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.93 -37.22 86.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.825 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 21.9 m-90 -72.53 -24.43 61.14 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.451 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -74.9 -48.72 23.26 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.12 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.468 ' O ' ' HB2' ' A' ' 23' ' ' LEU . 8.0 tp -66.15 -31.47 53.8 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.984 -179.619 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -67.48 -42.68 82.55 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-O 121.034 0.445 . . . . 0.0 110.276 178.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.59 -43.08 73.51 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.56 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -64.59 -41.86 95.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.181 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.468 ' HB2' ' O ' ' A' ' 19' ' ' ILE . 1.0 OUTLIER -67.71 -32.99 74.01 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.158 -179.309 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -69.73 -37.74 76.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.869 0.366 . . . . 0.0 111.186 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -74.06 -33.75 63.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.22 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -82.23 -41.94 19.6 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.73 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -102.12 57.5 0.63 Allowed Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 111.606 -0.598 . . . . 0.0 111.606 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -70.01 92.09 0.71 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.175 0.512 . . . . 0.0 110.838 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 15.2 t -97.18 7.63 46.21 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.277 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 67.19 -173.19 0.19 Allowed 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.496 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.17 25.99 10.09 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.158 0.504 . . . . 0.0 110.653 -179.389 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -58.69 -47.62 83.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.699 -178.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.9 t -67.08 -27.65 40.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.179 0.514 . . . . 0.0 111.121 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.8 tmtt? -74.36 -40.48 62.09 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.363 -179.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -77.87 -42.13 34.47 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.23 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 5.9 t90 -98.66 56.89 1.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.548 0.69 . . . . 0.0 109.595 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 11.6 tt -66.73 126.37 26.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.763 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 m -110.74 168.42 9.49 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.99 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.418 ' N ' ' HD3' ' A' ' 40' ' ' PRO . 32.0 ttpt 60.46 64.58 2.47 Favored Pre-proline 0 CA--C 1.537 0.46 0 O-C-N 123.66 0.6 . . . . 0.0 111.016 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' A' ' 39' ' ' LYS . 10.3 Cg_endo . . . . . 0 C--O 1.247 0.964 0 C-N-CA 123.258 2.639 . . . . 0.0 111.967 -179.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.0 mmt . . . . . 0 N--CA 1.484 1.257 0 CA-C-O 120.503 0.192 . . . . 0.0 111.43 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -118.78 132.44 56.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.645 0.259 . . . . 0.0 110.465 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 32.6 m -121.72 167.98 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.044 179.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -83.59 58.47 4.6 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.37 -179.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 33.6 ttt180 49.52 66.66 1.06 Allowed 'General case' 0 C--O 1.235 0.298 0 O-C-N 123.626 0.579 . . . . 0.0 111.096 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 13.5 mmt 61.72 84.27 0.19 Allowed Pre-proline 0 N--CA 1.468 0.458 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.947 -178.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -74.51 136.05 20.96 Favored 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 122.925 2.416 . . . . 0.0 112.584 -178.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.0 mmtp -132.54 175.74 9.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.595 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.64 143.99 17.1 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.744 -0.741 . . . . 0.0 111.321 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.7 m -72.86 128.74 35.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.04 0.448 . . . . 0.0 110.671 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 16.0 m -112.31 16.22 8.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.784 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 53.8 tp -69.16 130.48 42.8 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.588 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.2 t -89.69 98.58 8.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.966 179.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 115.8 162.05 13.13 Favored Glycine 0 N--CA 1.447 -0.575 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 -179.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt 60.59 26.4 16.09 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.888 0.375 . . . . 0.0 110.904 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.94 -19.47 65.73 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.371 -179.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 7.7 t90 -82.32 -34.16 28.68 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.035 0.445 . . . . 0.0 109.98 179.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -69.64 -44.9 69.66 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.734 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.1 tp -65.08 -34.26 69.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.024 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.44 ' HG3' ' N ' ' A' ' 21' ' ' ALA . 0.5 OUTLIER -71.21 -32.0 68.28 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 121.053 -0.259 . . . . 0.0 110.511 179.894 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.44 ' N ' ' HG3' ' A' ' 20' ' ' ARG . . . -70.95 -42.0 70.37 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.096 0.474 . . . . 0.0 110.276 179.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 50.3 tttp -69.16 -30.47 68.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.233 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.0 mp -82.71 -19.2 38.48 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.867 179.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.2 ttmt -84.14 -29.92 26.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.759 0.314 . . . . 0.0 111.027 -179.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 21' ' ' ALA . 6.3 pt-20 -79.86 -41.7 25.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.864 0.364 . . . . 0.0 110.572 179.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -83.46 -37.0 23.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.824 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -115.89 59.43 0.44 Allowed Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.888 -179.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.1 ptt-85 -58.68 107.67 0.54 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.25 0.548 . . . . 0.0 110.9 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.06 13.29 27.63 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.599 0.714 . . . . 0.0 110.522 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 29.0 p90 -120.13 151.75 38.62 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.62 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 64.12 25.46 13.72 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 123.526 0.516 . . . . 0.0 111.544 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -64.32 -34.45 78.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.939 0.399 . . . . 0.0 110.729 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 28.8 m -76.33 -15.03 15.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.255 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.3 mtpt -97.55 -28.38 13.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.29 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -80.37 -33.79 36.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.355 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 59.6 t90 -110.43 123.15 49.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.0 tt -77.88 126.66 38.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.826 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.6 m -83.99 136.84 33.9 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.113 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 56.5 tptt 62.65 76.28 0.38 Allowed Pre-proline 0 C--O 1.235 0.305 0 CA-C-O 121.388 0.613 . . . . 0.0 110.893 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo . . . . . 0 C--O 1.25 1.101 0 C-N-CA 123.178 2.585 . . . . 0.0 112.08 -179.83 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.484 1.266 0 CA-C-O 120.586 0.232 . . . . 0.0 111.285 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 40.6 mttt -134.01 167.56 20.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.863 0.363 . . . . 0.0 110.941 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.7 p -152.6 154.83 7.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.491 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 29.5 m170 -98.41 -177.99 3.88 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 110.07 -0.344 . . . . 0.0 110.07 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -70.96 -44.84 65.23 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.975 0.417 . . . . 0.0 110.567 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 25.1 ttt -117.22 92.24 39.23 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.031 179.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -81.6 85.65 1.7 Allowed 'Trans proline' 0 N--CA 1.459 -0.53 0 C-N-CA 122.638 2.225 . . . . 0.0 111.868 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.3 mttt 71.81 179.28 0.24 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.514 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -118.99 134.32 10.73 Favored Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 111.621 -0.592 . . . . 0.0 111.621 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.8 m -86.51 150.24 3.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.974 0.416 . . . . 0.0 111.336 -179.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.0 m -118.44 36.28 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.859 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.9 mp -69.76 159.8 32.88 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.166 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.9 m -90.31 34.09 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.95 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -93.47 -155.52 31.95 Favored Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 115.819 -0.628 . . . . 0.0 112.087 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.4 mttm 62.99 36.72 12.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.101 0.477 . . . . 0.0 110.211 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.4 -45.78 92.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.398 -179.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 65.4 t90 -66.46 -40.01 89.16 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.994 0.426 . . . . 0.0 110.065 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -64.34 -44.25 92.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.965 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.2 tp -72.31 -32.45 42.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.158 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -64.92 -44.04 90.82 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.53 -33.88 76.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.646 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -70.16 -45.97 65.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.478 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.1 mp -65.4 -31.57 72.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.943 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.8 ttpt -81.74 -15.1 55.44 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.234 0.54 . . . . 0.0 110.425 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -90.45 -42.78 10.68 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.109 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -86.15 -32.35 21.32 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.317 -179.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -110.48 68.82 0.22 Allowed Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.477 -179.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.8 ptt180 -106.54 42.03 1.34 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.09 0.471 . . . . 0.0 110.381 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.61 -43.51 69.18 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.014 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 68.07 15.98 9.47 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.612 179.327 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.14 -53.03 59.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.753 -179.25 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -64.73 -22.61 67.02 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -178.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 58.4 t -77.41 -44.13 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.833 0.349 . . . . 0.0 110.441 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.6 mttm -72.23 -29.46 63.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.794 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -79.78 -10.72 59.82 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.986 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.418 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 1.1 t90 -90.69 139.97 30.21 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.771 -179.424 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.0 tt -77.89 -16.78 14.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.458 0.647 . . . . 0.0 110.153 178.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.6 t -84.29 -42.1 16.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.792 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' A' ' 36' ' ' TRP . 46.6 mtpt 53.39 75.65 0.61 Allowed Pre-proline 0 N--CA 1.468 0.434 0 O-C-N 123.553 0.533 . . . . 0.0 111.47 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo . . . . . 0 C--O 1.249 1.044 0 C-N-CA 123.224 2.616 . . . . 0.0 112.555 -179.48 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.124 0 CA-C-O 120.919 0.39 . . . . 0.0 110.726 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -159.72 -167.99 2.14 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.685 179.627 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.7 p -61.23 131.39 26.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.01 0.433 . . . . 0.0 110.726 179.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -66.47 -71.09 0.21 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.232 -179.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.404 ' HG2' ' SD ' ' A' ' 6' ' ' MET . 16.9 ttm-85 -166.25 145.94 6.06 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.393 -179.39 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.404 ' SD ' ' HG2' ' A' ' 5' ' ' ARG . 1.7 mpt? 55.3 75.51 0.59 Allowed Pre-proline 0 N--CA 1.466 0.344 0 O-C-N 124.109 0.881 . . . . 0.0 111.675 179.575 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -66.52 108.99 1.51 Allowed 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.061 1.841 . . . . 0.0 111.753 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 57.4 pttt -67.7 140.95 56.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.505 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.27 170.6 23.62 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.06 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.1 m -130.59 124.53 57.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.743 0.306 . . . . 0.0 110.889 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.1 p -153.46 135.38 5.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -121.03 158.48 27.71 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.374 -179.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 59.5 t -85.04 104.95 13.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.9 179.064 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 91.04 -148.94 19.62 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.786 -0.721 . . . . 0.0 111.618 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 49.4 mttt 60.53 35.56 20.14 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.974 0.416 . . . . 0.0 110.562 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.84 -36.14 80.32 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.448 -179.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 55.8 m95 -69.58 -45.98 67.4 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.443 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -64.4 -44.83 90.07 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.833 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.1 tt -66.74 -34.85 72.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.958 -179.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -73.25 -34.4 65.82 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.989 -0.285 . . . . 0.0 110.345 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.07 -42.19 85.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.146 0.498 . . . . 0.0 109.673 178.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -64.84 -42.72 94.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.146 179.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 mp -62.19 -36.82 83.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.492 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.7 ttpt -69.67 -34.49 74.04 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.718 179.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -75.66 -41.01 55.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.842 0.353 . . . . 0.0 110.773 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -78.71 -37.14 42.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.745 -178.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -145.77 82.06 0.2 Allowed Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.271 -179.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 28' ' ' ARG . 11.3 ttt-85 -69.46 -0.81 7.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.023 0.44 . . . . 0.0 111.347 -179.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 p -71.97 -24.46 61.6 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.355 179.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 57.88 43.76 21.02 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.283 -0.872 . . . . 0.0 111.042 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -52.32 -41.64 63.14 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.493 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -64.72 -42.73 95.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.061 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.9 t -74.98 -15.66 15.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.251 0.548 . . . . 0.0 110.948 -179.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.0 tmtt? -81.09 -41.26 22.82 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.656 178.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.35 -37.78 25.18 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.65 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 89.6 t90 -112.98 108.4 17.3 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.523 179.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 31.5 pt -91.82 148.5 4.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.343 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.85 59.07 4.11 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.0 0.429 . . . . 0.0 111.012 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -116.66 100.12 53.23 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.117 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo . . . . . 0 C--O 1.248 0.991 0 C-N-CA 122.44 2.093 . . . . 0.0 111.94 179.571 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.0 ttt . . . . . 0 N--CA 1.479 1.004 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.3 tmtt? -72.72 -48.13 41.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.216 -179.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.525 HG13 ' H ' ' A' ' 5' ' ' ARG . 9.7 p -65.56 -34.53 71.0 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-O 120.798 0.332 . . . . 0.0 110.95 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 29.4 t60 59.96 17.05 6.28 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.749 179.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.525 ' H ' HG13 ' A' ' 3' ' ' VAL . 4.5 mpt_? -144.59 -167.03 2.54 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.543 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 20.3 mmt -107.7 96.43 16.93 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-O 120.623 0.249 . . . . 0.0 110.516 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -80.4 154.98 21.61 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.924 2.416 . . . . 0.0 111.658 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.63 167.25 24.22 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.046 0.45 . . . . 0.0 111.189 -179.017 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.82 83.93 0.91 Allowed Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.067 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 18.7 m -67.88 -6.2 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.82 0.343 . . . . 0.0 111.635 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 17.2 m -79.31 -26.37 12.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.988 179.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.2 mp 59.84 83.45 0.13 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.743 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.9 m -82.23 -12.55 12.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.219 -179.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 100.33 98.15 2.25 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.486 -0.864 . . . . 0.0 112.089 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.6 mttp -66.53 -16.01 63.82 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.619 0.229 . . . . 0.0 111.619 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.76 -39.98 82.56 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.709 -0.223 . . . . 0.0 111.395 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -62.87 -43.56 98.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.863 0.364 . . . . 0.0 110.076 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -61.63 -42.3 98.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.341 179.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.61 -46.51 96.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.723 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 59.3 mtt-85 -62.39 -41.25 98.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.043 -179.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.11 -36.35 81.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.105 0.479 . . . . 0.0 111.058 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -73.55 -42.81 61.19 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.627 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.1 mp -63.52 -41.24 98.51 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.077 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -70.27 -22.96 62.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.081 0.467 . . . . 0.0 110.749 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -80.67 -46.52 15.45 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.28 179.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -75.28 -36.53 61.18 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.608 -178.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -124.22 72.82 0.42 Allowed Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.405 -0.902 . . . . 0.0 112.733 -179.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.5 tpp180 -61.92 131.43 49.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.828 0.347 . . . . 0.0 110.149 179.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -78.92 67.69 4.69 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.957 -179.355 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -140.13 15.03 2.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.18 0.514 . . . . 0.0 111.083 179.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -89.11 12.39 15.86 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.859 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -60.94 -49.17 78.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.625 -178.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.2 p -63.08 -36.2 74.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.049 0.452 . . . . 0.0 111.002 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.7 ttmt -69.43 -45.48 69.06 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.474 179.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -65.35 -35.17 80.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.23 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 11.7 t-105 -64.5 -48.35 75.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.632 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 20.6 mm -92.4 70.4 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.511 0.672 . . . . 0.0 110.657 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.2 m -139.5 74.52 1.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.176 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.1 mtmm 61.44 65.17 1.9 Allowed Pre-proline 0 N--CA 1.464 0.262 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.273 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_exo . . . . . 0 C--O 1.247 0.941 0 C-N-CA 122.817 2.344 . . . . 0.0 111.847 -179.821 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ttt . . . . . 0 N--CA 1.48 1.037 0 CA-C-O 120.669 0.271 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -86.78 131.58 34.08 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.836 0.35 . . . . 0.0 110.413 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.7 m -90.6 122.7 42.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.573 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 13.3 p80 -153.47 54.48 0.74 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.36 0.6 . . . . 0.0 111.125 -179.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.2 ttt180 -140.84 49.61 1.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.03 179.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 8.3 ttt 57.01 71.99 1.03 Allowed Pre-proline 0 C--O 1.234 0.259 0 CA-C-N 114.904 -1.044 . . . . 0.0 111.405 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -85.05 161.45 11.65 Favored 'Trans proline' 0 N--CA 1.456 -0.68 0 C-N-CA 122.711 2.274 . . . . 0.0 112.256 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.4 mtpt -102.71 131.53 49.47 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.911 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -156.77 -143.04 3.55 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.586 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -122.29 102.9 12.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.976 0.417 . . . . 0.0 111.239 -179.509 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 15.8 m -92.73 30.14 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.232 0.539 . . . . 0.0 110.598 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 64.3 mt -77.4 -18.04 57.64 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 36.0 t -76.14 117.25 20.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.261 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -111.7 -117.17 3.61 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.006 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.6 40.34 3.4 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.133 0.492 . . . . 0.0 110.314 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.23 -44.01 80.57 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.539 -179.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 72.0 m95 -69.71 -31.02 68.8 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.937 0.399 . . . . 0.0 110.388 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -67.18 -46.43 73.98 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.959 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.6 tt -70.01 -34.38 59.44 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-O 120.907 0.384 . . . . 0.0 110.341 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 42.3 mtt180 -65.42 -46.86 78.3 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.459 179.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.55 -46.68 86.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.317 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -61.88 -44.48 96.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.996 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.5 mp -66.42 -30.28 70.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.711 0.291 . . . . 0.0 111.609 -179.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -79.88 -31.53 40.32 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.093 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -84.33 -37.96 20.95 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.296 -179.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -85.47 -18.69 32.83 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.98 0.419 . . . . 0.0 110.904 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -97.19 -99.47 1.98 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.858 -179.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.2 mtt-85 59.35 43.28 16.83 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 122.795 0.438 . . . . 0.0 111.103 -179.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.79 60.33 1.71 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.212 -179.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -120.26 43.51 2.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -86.25 -20.27 28.7 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.7 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -57.68 -36.77 72.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.366 -179.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 14.5 p -66.45 -27.53 40.63 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-O 120.971 0.415 . . . . 0.0 111.162 -179.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.6 mtmt -92.64 -13.51 29.43 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.268 0.556 . . . . 0.0 110.069 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -87.66 -40.65 13.99 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.322 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 23.5 m95 -87.39 121.04 29.3 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.03 179.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 32.5 pt -72.07 141.55 16.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.896 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.94 21.71 6.41 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.719 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 43.6 tttp -120.75 120.18 29.69 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.488 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo . . . . . 0 C--O 1.247 0.971 0 C-N-CA 122.528 2.152 . . . . 0.0 111.704 178.949 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.9 tpp . . . . . 0 N--CA 1.481 1.11 0 CA-C-O 120.567 0.222 . . . . 0.0 110.529 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 86.4 mttt 63.76 22.31 13.02 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.077 0.551 . . . . 0.0 111.855 179.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.4 p -67.97 -25.13 31.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.368 -179.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 28.0 p80 -108.09 18.57 21.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.441 0.639 . . . . 0.0 110.376 179.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.4 mtt180 -123.2 33.3 5.42 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.295 -0.866 . . . . 0.0 108.697 178.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 47.6 mtp 58.44 77.45 0.4 Allowed Pre-proline 0 C--O 1.234 0.238 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.998 -178.165 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -67.3 -37.54 17.68 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.682 2.254 . . . . 0.0 111.505 -179.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 72.8 mttt -138.47 -173.87 3.66 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.206 179.291 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -74.32 -101.85 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.678 -0.773 . . . . 0.0 111.725 179.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.8 t 53.41 78.08 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-O 121.209 0.528 . . . . 0.0 111.34 179.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 16.0 m -94.6 -22.75 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.629 -179.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.7 mt -88.1 50.46 1.99 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.972 0.415 . . . . 0.0 110.995 -179.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.9 m -83.09 153.1 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.326 -179.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -112.45 176.76 18.06 Favored Glycine 0 N--CA 1.444 -0.775 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 179.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.2 mtmt -62.5 -26.84 68.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.575 0.226 . . . . 0.0 111.488 -179.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.04 -25.7 67.17 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.083 0.468 . . . . 0.0 111.091 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 62.8 t-105 -80.46 -41.27 24.72 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.823 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -71.17 -40.33 71.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.581 -0.736 . . . . 0.0 112.027 -179.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 15.0 tt -61.69 -39.09 82.02 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.123 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.507 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.2 mtp85 -68.85 -37.89 79.41 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.265 179.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.08 -35.91 80.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.66 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 44.3 tptt -74.61 -40.47 61.53 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.227 179.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.9 mp -62.97 -39.45 94.73 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.949 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.0 pttt -78.85 -16.2 57.38 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.473 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -79.35 -47.5 15.69 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.938 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -95.1 -28.0 15.3 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.397 -179.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -106.29 47.88 1.01 Allowed Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.607 -0.806 . . . . 0.0 111.958 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -68.48 -60.26 2.56 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.952 0.406 . . . . 0.0 110.156 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.3 m -160.03 -68.21 0.07 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.77 179.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 43.6 p90 -135.7 141.35 44.91 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 179.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 17.8 mm100 -123.98 -46.15 1.97 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.849 0.356 . . . . 0.0 111.139 -179.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -65.44 -36.74 84.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.709 -178.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 39.8 t -64.05 -32.22 56.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.083 0.468 . . . . 0.0 110.372 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.55 -11.05 49.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.043 -179.533 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -94.08 -34.76 12.86 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.143 0.496 . . . . 0.0 110.428 179.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 15.1 m0 -83.05 -42.13 17.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.377 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 36.4 mm -98.44 128.71 49.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.633 -179.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.0 t 64.08 65.43 0.69 Allowed 'General case' 0 C--O 1.233 0.192 0 CA-C-O 121.459 0.647 . . . . 0.0 110.392 -179.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.0 pttp -117.2 107.19 45.87 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.25 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo . . . . . 0 C--O 1.246 0.894 0 C-N-CA 122.697 2.265 . . . . 0.0 111.811 179.533 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.0 tpt . . . . . 0 N--CA 1.48 1.06 0 CA-C-O 120.645 0.259 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -78.18 64.22 3.28 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.793 0.33 . . . . 0.0 111.427 -179.072 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.428 HG23 ' H ' ' A' ' 4' ' ' HIS . 0.0 OUTLIER -146.68 -60.67 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.18 0.514 . . . . 0.0 110.211 179.518 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.428 ' H ' HG23 ' A' ' 3' ' ' VAL . 1.8 m80 -147.99 176.64 10.02 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -77.46 -19.83 55.37 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.012 0.434 . . . . 0.0 110.052 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 24.0 ttt -149.76 81.61 7.0 Favored Pre-proline 0 C--N 1.328 -0.37 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.41 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -79.61 -21.08 8.89 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.677 2.251 . . . . 0.0 112.427 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -134.15 150.52 51.12 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.821 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 178.21 74.3 0.06 OUTLIER Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.348 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 31.3 m -91.8 -16.41 7.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.944 0.402 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.1 t -90.83 70.1 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.273 0.558 . . . . 0.0 110.053 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -96.51 94.99 7.7 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.399 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.8 t -104.56 81.43 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.201 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 114.42 119.72 3.42 Favored Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.398 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.0 mmtp -70.71 -11.58 61.03 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 120.832 0.349 . . . . 0.0 111.115 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.91 -26.94 68.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.198 0.523 . . . . 0.0 109.809 178.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 12.8 m95 -78.44 -36.13 45.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.864 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -66.73 -45.3 79.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.899 -179.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.3 tp -62.53 -35.67 71.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.138 -179.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 40.8 ttt180 -72.7 -41.9 64.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.851 0.358 . . . . 0.0 110.382 179.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.609 ' O ' ' HG3' ' A' ' 24' ' ' LYS . . . -67.56 -39.96 84.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.766 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.4 ttmt -65.92 -38.0 87.54 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.407 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.9 mp -72.06 -25.49 61.8 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.976 -179.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.609 ' HG3' ' O ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -87.93 -19.6 27.06 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.547 -0.461 . . . . 0.0 111.073 179.454 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -89.15 -39.57 13.49 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.879 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -98.65 -23.01 15.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.752 -179.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.4 17.93 54.1 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.452 -0.88 . . . . 0.0 112.471 -179.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.8 ttp-105 -101.28 130.28 47.4 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 179.218 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.8 t -60.12 127.81 33.69 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.087 0.47 . . . . 0.0 110.931 -179.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 33.5 p90 -127.41 145.5 50.8 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.871 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 19.8 tm0? -132.97 -42.19 0.9 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.201 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -58.99 -53.49 57.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.474 -179.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 35.6 m -71.55 -9.84 13.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.661 0.267 . . . . 0.0 111.506 -179.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -83.42 -44.03 15.21 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 179.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -77.17 -38.07 52.42 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.175 179.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 29.9 t-105 -83.76 90.4 7.32 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.324 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.2 pt -77.16 125.81 37.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.23 0.538 . . . . 0.0 110.976 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 m -109.56 -20.61 12.8 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.119 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.9 pttt -146.26 93.49 5.04 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.543 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo . . . . . 0 C--O 1.247 0.962 0 C-N-CA 122.781 2.32 . . . . 0.0 112.661 -179.347 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mpt? . . . . . 0 N--CA 1.476 0.869 0 CA-C-O 120.861 0.362 . . . . 0.0 110.587 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.9 tptt -108.96 152.83 24.42 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.113 179.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.1 p -119.42 116.05 49.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.301 0.572 . . . . 0.0 110.25 179.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -148.41 -178.02 6.09 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.985 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 26.4 ttt85 63.67 84.68 0.14 Allowed 'General case' 0 N--CA 1.465 0.289 0 O-C-N 123.51 0.506 . . . . 0.0 111.17 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 41.3 ttp 51.87 68.42 3.22 Favored Pre-proline 0 CA--C 1.535 0.388 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.498 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -73.5 -24.78 15.84 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.759 2.306 . . . . 0.0 113.002 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 70.7 tttt -127.43 -46.95 1.45 Allowed 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.981 -0.288 . . . . 0.0 111.444 -179.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.13 -68.9 1.63 Allowed Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 121.067 -0.587 . . . . 0.0 111.843 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.0 t 61.23 59.44 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-O 121.385 0.612 . . . . 0.0 110.784 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.9 p -100.24 -2.55 9.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.36 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.8 tp -80.77 117.44 21.43 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.56 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.475 HG12 ' H ' ' A' ' 14' ' ' GLY . 1.4 t -119.15 172.61 6.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.475 ' H ' HG12 ' A' ' 13' ' ' VAL . . . 125.76 -105.63 0.82 Allowed Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.501 -0.857 . . . . 0.0 112.873 179.366 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.502 ' O ' HG12 ' A' ' 19' ' ' ILE . 25.7 mtpp -66.72 -21.82 66.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.769 0.318 . . . . 0.0 110.891 -179.387 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.23 -25.49 59.2 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.59 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 4.4 t-105 -72.05 -43.93 64.13 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.818 0.342 . . . . 0.0 110.375 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -66.83 -36.31 82.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.497 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.502 HG12 ' O ' ' A' ' 15' ' ' LYS . 47.5 mm -58.3 -42.57 84.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.551 179.727 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.4 ttt-85 -64.45 -41.59 96.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.349 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.43 -46.39 86.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.365 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -63.13 -40.78 98.59 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.681 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.5 mp -63.41 -35.13 79.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.611 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.468 ' O ' ' HB2' ' A' ' 28' ' ' ARG . 18.0 tppt? -74.58 -33.45 62.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.583 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -66.96 -44.7 79.85 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.843 0.354 . . . . 0.0 110.963 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -81.99 -38.22 25.44 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.626 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -99.74 47.57 1.3 Allowed Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.734 -178.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.468 ' HB2' ' O ' ' A' ' 24' ' ' LYS . 26.9 ttt180 -94.14 -76.21 0.49 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 179.186 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 p -147.69 -78.9 0.15 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.314 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -85.38 82.14 8.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.089 0.471 . . . . 0.0 110.741 -179.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.42 ' H ' ' HG3' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -79.37 -14.27 59.07 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.704 -179.782 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -62.16 -30.03 70.77 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 -179.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.428 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 6.6 p -75.14 -14.23 15.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.895 0.378 . . . . 0.0 111.351 -179.328 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 45.0 tptt -94.35 -33.52 13.15 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.034 0.445 . . . . 0.0 110.23 179.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -82.58 -34.51 27.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.536 179.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -123.26 95.82 4.75 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.994 -179.661 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.428 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 14.1 tt -139.77 116.42 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.551 0.691 . . . . 0.0 111.993 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.2 p -127.21 29.5 5.56 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.686 179.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.4 73.03 0.67 Allowed Pre-proline 0 N--CA 1.465 0.302 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.121 -179.076 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_endo . . . . . 0 C--O 1.248 1.011 0 C-N-CA 122.85 2.366 . . . . 0.0 111.39 179.054 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.0 mtt . . . . . 0 N--CA 1.483 1.21 0 CA-C-O 120.998 0.427 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -98.36 -41.68 7.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.881 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.7 m -105.87 165.42 3.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -79.07 -50.74 10.58 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.2 ttp180 -172.91 -56.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.486 179.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 53.9 ttm -113.9 105.08 54.83 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.435 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -78.6 -176.43 3.27 Favored 'Trans proline' 0 N--CA 1.46 -0.47 0 C-N-CA 122.747 2.298 . . . . 0.0 112.014 179.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.2 tptt -112.36 83.49 1.81 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.252 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.05 67.51 3.42 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.043 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 18.1 t -90.34 91.62 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.171 0.51 . . . . 0.0 110.42 -179.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.2 t -86.1 -26.26 6.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.967 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.8 mp -66.37 134.61 52.9 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.556 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 38.4 t -73.24 136.05 26.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.487 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 128.04 141.37 5.24 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.744 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -98.13 8.02 45.41 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.482 0.182 . . . . 0.0 111.001 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.4 -45.62 93.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.966 0.412 . . . . 0.0 110.489 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 48.4 t-105 -66.13 -35.7 81.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.95 179.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -63.95 -49.9 70.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.051 179.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.2 mt -61.39 -40.03 84.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.833 179.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 20' ' ' ARG . 0.8 OUTLIER -59.98 -50.9 71.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.393 179.407 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.473 ' O ' ' HG2' ' A' ' 25' ' ' GLU . . . -63.96 -41.61 97.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.604 -179.63 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -60.51 -43.97 96.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.735 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.8 mp -74.19 -27.27 60.72 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.471 -178.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.433 ' HA ' ' HD3' ' A' ' 24' ' ' LYS . 30.7 mmtp -78.52 -21.11 49.33 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 121.012 -0.275 . . . . 0.0 111.552 -179.652 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' A' ' 21' ' ' ALA . 10.1 pt-20 -95.62 -19.39 19.79 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.267 178.278 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -92.28 -41.93 10.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.274 179.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -139.3 86.78 0.21 Allowed Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 111.459 -0.656 . . . . 0.0 111.459 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 -85.47 74.74 10.29 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.962 0.411 . . . . 0.0 111.38 -178.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 89.5 m -88.85 81.11 7.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.334 0.587 . . . . 0.0 110.081 178.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 58.59 -158.12 0.3 Allowed 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.426 179.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -168.62 -62.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.4 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -63.62 -32.89 74.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.035 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 10.9 t -75.39 -30.71 22.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.994 0.425 . . . . 0.0 110.515 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 26.3 tttm -71.17 -41.2 70.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.944 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -81.32 -30.23 33.94 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.657 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER 59.78 58.45 2.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.285 -179.644 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.6 tp -69.52 -32.97 54.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.21 -179.285 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.7 m 58.13 73.02 0.49 Allowed 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.713 -179.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 28.8 tttm -80.49 114.66 49.34 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.229 -179.7 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 39' ' ' LYS . 17.1 Cg_exo . . . . . 0 C--O 1.247 0.938 0 C-N-CA 122.718 2.279 . . . . 0.0 112.078 -179.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.0 ttm . . . . . 0 N--CA 1.48 1.032 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 62.1 mmtt -134.92 -70.25 0.5 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.462 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.3 p -80.62 135.45 25.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.248 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 16.1 m80 -70.05 -46.63 64.59 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 121.065 -0.254 . . . . 0.0 110.774 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.417 ' O ' ' HD3' ' A' ' 7' ' ' PRO . 7.4 tpt180 -160.05 -57.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.689 0.281 . . . . 0.0 111.498 179.514 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.481 ' O ' ' HG2' ' A' ' 6' ' ' MET . 0.0 OUTLIER -96.65 108.22 41.36 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-O 121.148 0.499 . . . . 0.0 111.46 -178.867 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.417 ' HD3' ' O ' ' A' ' 5' ' ' ARG . 10.5 Cg_endo -90.83 24.33 0.59 Allowed 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 123.174 2.583 . . . . 0.0 111.472 178.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.1 pttt -96.0 139.82 31.64 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.759 -179.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 178.2 140.08 3.7 Favored Glycine 0 N--CA 1.443 -0.864 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 179.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.0 t -113.52 102.65 14.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 120.817 0.342 . . . . 0.0 110.288 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.9 p -128.12 105.18 13.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.269 0.557 . . . . 0.0 110.215 179.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.1 pp -97.78 -7.11 31.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.745 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.4 t -81.92 112.51 19.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.4 -179.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.87 -82.06 1.65 Allowed Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.994 178.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.8 mtmt 61.87 29.15 17.8 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.957 0.408 . . . . 0.0 110.624 -178.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.586 ' O ' ' HB2' ' A' ' 20' ' ' ARG . . . -59.87 -37.13 78.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.253 -179.437 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -68.79 -41.27 78.95 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.996 0.427 . . . . 0.0 110.569 179.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -67.4 -46.87 71.98 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.343 -179.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.532 ' O ' ' HB2' ' A' ' 23' ' ' LEU . 10.9 tp -69.69 -28.71 38.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.819 0.342 . . . . 0.0 110.861 -178.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.586 ' HB2' ' O ' ' A' ' 16' ' ' ALA . 0.1 OUTLIER -75.15 -40.11 59.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.818 0.342 . . . . 0.0 110.282 179.756 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.38 -45.9 68.22 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.79 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.406 ' HD2' ' HA ' ' A' ' 22' ' ' LYS . 19.6 tptm -66.41 -34.43 77.93 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.336 -179.142 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.532 ' HB2' ' O ' ' A' ' 19' ' ' ILE . 1.0 OUTLIER -69.58 -43.5 72.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.281 -179.611 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.9 pttt -77.98 -11.27 59.89 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.726 -179.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.69 -42.98 27.04 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.791 179.176 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -96.44 -31.59 12.75 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.164 -179.669 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -113.56 51.5 0.7 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.542 -0.837 . . . . 0.0 112.208 -179.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -66.29 -56.43 11.26 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.84 0.353 . . . . 0.0 110.875 -179.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.0 t -112.62 -4.17 14.18 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.542 -179.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -65.4 -24.0 67.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.896 0.379 . . . . 0.0 111.434 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -62.03 -33.05 73.64 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.908 179.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -74.03 -43.16 58.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.495 -179.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.5 p -71.78 -19.36 20.15 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 CA-C-O 121.372 0.606 . . . . 0.0 110.977 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -87.53 -32.86 19.17 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.282 179.496 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -79.67 -36.84 37.08 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.941 -179.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -73.61 126.98 31.51 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 120.989 0.423 . . . . 0.0 110.568 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.7 tt -126.1 143.18 40.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -179.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.4 m -142.37 -46.39 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.612 179.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -138.08 88.64 15.24 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.687 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo . . . . . 0 C--O 1.249 1.07 0 C-N-CA 122.744 2.296 . . . . 0.0 111.954 179.473 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 ttt . . . . . 0 N--CA 1.485 1.284 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 92.3 mttt 61.52 42.26 11.54 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.488 0.661 . . . . 0.0 110.719 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.438 HG21 ' HB3' ' A' ' 7' ' ' PRO . 30.5 m -86.79 -175.0 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.847 -179.705 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 49.2 p-80 -66.18 160.5 24.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.8 179.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -59.28 123.23 16.05 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.653 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 65.0 mtt 64.97 76.61 0.31 Allowed Pre-proline 0 N--CA 1.467 0.39 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.471 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.438 ' HB3' HG21 ' A' ' 3' ' ' VAL . 29.3 Cg_endo -66.16 -44.67 6.76 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.325 2.017 . . . . 0.0 111.586 178.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -153.89 -176.47 5.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.592 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 105.83 10.42 30.57 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.501 -0.857 . . . . 0.0 112.188 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.2 t -82.5 103.25 9.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.855 0.36 . . . . 0.0 110.059 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.1 m -118.11 -3.37 10.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.698 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.434 HD13 ' HA ' ' A' ' 12' ' ' LEU . 3.6 mm? -81.96 62.15 5.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.158 0.504 . . . . 0.0 110.765 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 44.6 t -125.14 104.97 14.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.96 179.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 92.72 84.03 1.53 Allowed Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.121 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -63.03 -32.98 74.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.905 0.383 . . . . 0.0 110.541 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.98 -32.14 70.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.343 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 81.0 m95 -74.71 -37.31 62.63 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.824 0.345 . . . . 0.0 110.529 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -68.42 -48.95 63.27 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.968 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.2 tt -67.48 -29.7 46.43 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 -178.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -75.17 -40.3 59.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.765 0.317 . . . . 0.0 110.413 179.201 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.87 -47.4 78.01 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.82 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -67.03 -35.95 81.01 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.569 -178.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.6 mp -73.24 -33.07 65.1 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.816 0.341 . . . . 0.0 110.593 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.505 ' O ' ' HG3' ' A' ' 28' ' ' ARG . 20.4 ttmt -71.84 -40.43 69.07 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.56 179.634 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -66.18 -46.6 76.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.974 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -72.02 -24.3 61.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.226 0.536 . . . . 0.0 110.843 -179.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.35 15.83 62.04 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 121.02 -0.609 . . . . 0.0 112.425 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.505 ' HG3' ' O ' ' A' ' 24' ' ' LYS . 60.4 mtp180 -73.66 -74.37 0.18 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.888 0.375 . . . . 0.0 110.6 179.693 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -163.41 93.35 0.76 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.167 0.508 . . . . 0.0 110.927 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 62.17 -172.47 0.15 Allowed 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.586 -0.733 . . . . 0.0 111.355 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -90.18 0.22 57.29 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.098 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.494 ' O ' ' HB2' ' A' ' 36' ' ' TRP . 43.3 m-85 -61.31 -28.01 68.9 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.133 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.7 t -69.93 -47.74 67.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.074 0.464 . . . . 0.0 110.451 179.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.7 tppm? -69.37 -30.1 68.02 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.664 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -76.09 -35.22 59.46 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.089 0.471 . . . . 0.0 110.559 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.494 ' HB2' ' O ' ' A' ' 32' ' ' TYR . 1.3 t-105 -64.66 -48.16 75.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.948 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 31.4 pt -90.94 174.21 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.795 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.0 m -117.35 80.57 1.51 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.238 0.542 . . . . 0.0 110.242 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.439 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 47.5 tptt -125.94 112.54 24.47 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.755 -179.426 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 39' ' ' LYS . 6.2 Cg_exo . . . . . 0 C--O 1.252 1.224 0 C-N-CA 122.774 2.316 . . . . 0.0 111.765 178.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.8 ttp . . . . . 0 N--CA 1.483 1.179 0 CA-C-O 120.83 0.347 . . . . 0.0 110.402 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 13.4 mttp -120.72 109.1 14.78 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.875 0.369 . . . . 0.0 110.531 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.7 p -85.53 -20.45 8.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.283 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 4.0 m170 61.87 -166.23 0.22 Allowed 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.37 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -91.77 -33.34 15.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.035 0.445 . . . . 0.0 109.88 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 2.9 ttm -126.9 85.42 61.0 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.072 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -78.11 5.3 5.48 Favored 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 122.634 2.223 . . . . 0.0 112.679 -179.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.16 17.5 21.06 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.062 0.458 . . . . 0.0 110.519 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -76.63 46.21 2.26 Favored Glycine 0 CA--C 1.52 0.357 0 CA-C-N 116.002 -0.544 . . . . 0.0 112.911 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.2 m -126.96 11.8 3.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.463 0.649 . . . . 0.0 110.037 179.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.6 p -96.52 -6.03 9.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.494 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.1 mp -81.6 73.16 8.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.615 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.6 m -116.18 150.76 18.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.373 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.92 -36.93 2.5 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 121.062 -0.59 . . . . 0.0 112.689 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -87.48 27.93 1.04 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.845 0.355 . . . . 0.0 111.345 -179.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.442 ' O ' HG22 ' A' ' 19' ' ' ILE . . . -61.65 -32.59 72.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.282 0.563 . . . . 0.0 110.528 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 74.0 m95 -67.56 -36.0 80.11 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.587 179.39 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -77.54 -41.32 39.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.996 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.442 HG22 ' O ' ' A' ' 16' ' ' ALA . 12.5 tt -62.63 -35.77 71.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.106 -178.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.49 -27.23 56.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.991 0.424 . . . . 0.0 110.631 179.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.33 -45.23 26.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.033 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -71.12 -29.21 64.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.411 -179.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.4 mp -75.24 -37.2 61.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.704 -0.225 . . . . 0.0 110.844 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.7 mttt -72.92 -26.01 61.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.916 0.389 . . . . 0.0 110.445 179.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -78.47 -27.57 46.34 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.742 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -94.31 -37.85 11.29 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.952 -179.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -118.57 64.27 0.41 Allowed Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.334 -178.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.2 ptt180 -72.34 -22.95 61.09 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.831 0.348 . . . . 0.0 111.286 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.88 11.13 20.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.682 -179.193 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -80.44 52.19 1.58 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.262 0.553 . . . . 0.0 111.206 -179.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -117.5 -5.63 11.21 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.076 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -57.97 -51.42 69.72 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -178.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 57.6 t -62.42 -40.17 87.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.01 0.433 . . . . 0.0 110.948 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 21.2 mmmt -68.54 -34.3 75.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.399 -179.083 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -76.72 -35.05 58.07 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.009 -179.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 8.9 m0 -57.93 -47.44 82.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.637 179.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 18.7 pt -112.02 49.52 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.241 0.544 . . . . 0.0 110.861 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.9 p -72.74 -68.49 0.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.575 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.413 ' HA ' ' HD2' ' A' ' 40' ' ' PRO . 79.0 tttt 57.44 94.22 0.05 OUTLIER Pre-proline 0 CA--C 1.532 0.28 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.435 179.488 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 39' ' ' LYS . 29.3 Cg_endo . . . . . 0 C--O 1.251 1.167 0 C-N-CA 122.183 1.922 . . . . 0.0 111.94 179.628 . . . . . . . . 1 1 . 1 stop_ save_